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ScientificNameLabel
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1H-3a,7-Methanoazulene,2,3,4,7,8,8a-hexahydro
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| PHCD compound ID : |
5127
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| Chemical Names : |
1H-3a,7-Methanoazulene,2,3,4,7,8,8a-hexahydro
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| Molecular Formula : |
C11H16
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| Molecular Weight : |
148.125201
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More Details :
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| Names & Synonyms: |
tricyclo[5.3.1.01,5]undec-8-ene , tricyclo[5.3.1.01,5]undec-8-ene
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| Smiles: |
C1C[C@@H]2[C@@]3(C1)CC=C[C@@H](C2)C3
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| InChi : |
InChI=1S/C11H16/c1-3-9-7-10-4-2-6-11(10,5-1)8-9/h1,3,9-10H,2,4-8H2/t9-,10-,11+/m0/s1
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| InChi Key : |
InChIKey=CUOBJLYGSPOFKD-GARJFASQSA-N
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| PubChem ID : |
129820375
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
9.467200
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.488
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| XLogP : |
4.913
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VDW volume : |
159.106455
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| Molecular weight : |
148.125201
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HOMO-LUMO gap : |
10.739000
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| Herb list : |
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