Molecule

ID:112775

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆
Molecular Mass
124.22334
Exact Mass
124.12520051
Charge
0
InChI
InChI=1S/C9H16/c1-8-5-4-6-9(2,3)7-8/h4,6,8H,5,7H2,1-3H3
InChIKey
GQVLBFQEABXQDC-UHFFFAOYSA-N
Canonic Smiles
CC1CC=CC(C1)(C)C
Isomeric Smiles
CC1CC=CC(C)(C)C1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1795757
LogD (pH = 7.4)
3.1795757
Log P
3.1795757
Molar Refractivity
42.2949
Polarizability
16.394049
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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