Molecule

ID:128658

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅ClO₂
Molecular Mass
308.8429
Exact Mass
308.15430772
Charge
0
InChI
InChI=1S/C18H25ClO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h10-12,14,16,21H,2-9H2,1H3/t10-,11-,12-,14+,16+,18+/m1/s1
InChIKey
OZDDFAQVVGFDJP-YGRHGMIBSA-N
Canonic Smiles
O=C1CC[C@H]2C(=C1Cl)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C
Isomeric Smiles
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC1=C(C(=O)CC[C@H]31)Cl
Calculated Properties
JChem
Acid pKa
19.377705
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4543283
LogD (pH = 7.4)
3.4543285
Log P
3.4543285
Molar Refractivity
84.746
Polarizability
33.257553
Polar Surface Area
37.3
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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