Molecule

ID:118982

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O
Molecular Mass
162.22826
Exact Mass
162.10446507
Charge
0
InChI
InChI=1S/C11H14O/c1-3-11(2,12)10-7-8-4-5-9(10)6-8/h1,4-5,8-10,12H,6-7H2,2H3
InChIKey
FNQWHJAPJGOWMA-UHFFFAOYSA-N
Canonic Smiles
CC(C#C)(C1CC2CC1C=C2)O
Isomeric Smiles
C1(C2C=CC(C1)C2)C(C#C)(O)C
Calculated Properties
JChem
Acid pKa
16.954464
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.467955
LogD (pH = 7.4)
1.467955
Log P
1.467955
Molar Refractivity
49.7055
Polarizability
18.81635
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation