Molecule

ID:127234

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄
Molecular Mass
204.35106
Exact Mass
204.18780077
Charge
0
InChI
InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3/t14-,15+/m1/s1
InChIKey
MXDMETWAEGIFOE-CABCVRRESA-N
Canonic Smiles
C=C[C@@]1(C)CCC(=C[C@@H]1C(=C)C)C(C)C
Isomeric Smiles
C[C@@]1(C=C)[C@@H](C(=C)C)C=C(C(C)C)CC1
Calculated Properties
JChem
LogD (pH = 7.4)
4.68
LogD (pH = 5.5)
4.68
Log P
4.68
Rotatable Bonds
3
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
26.00
Molar Refractivity
69.30
LOG S
-5.27
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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