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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1S,4S,4aR)-4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7-hexahydronaphthalene , (1S,4S,4aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene
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| Smiles: |
CC1=C[C@@H]2C(=CC1)[C@@H](C)CC[C@H]2C(C)C
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| InChi : |
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h7,9-10,12-13,15H,5-6,8H2,1-4H3/t12-,13-,15-/m0/s1
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| InChi Key : |
InChIKey=JUQGWBAOQUBVFP-YDHLFZDLSA-N
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| PubChem ID : |
13966509
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| Rotatable bond count : |
1
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
8.762860
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.164
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| XLogP : |
6.091
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VDW volume : |
238.010393
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| Molecular weight : |
204.187801
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HOMO-LUMO gap : |
10.172000
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| Herb list : |
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| Refrences & Litretures: |
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