Molecule

ID:58066

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO
Molecular Mass
187.23772
Exact Mass
187.09971404
Charge
0
InChI
InChI=1S/C12H13NO/c1-9(2)13-6-5-11-7-10(8-14)3-4-12(11)13/h3-9H,1-2H3
InChIKey
OROXNZCMKPLKCC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)ccn2C(C)C
Isomeric Smiles
n1(c2c(cc1)cc(C=O)cc2)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7815692
LogD (pH = 7.4)
2.7815692
Log P
2.7815692
Molar Refractivity
57.7926
Polarizability
22.923512
Polar Surface Area
22.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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