Molecule

ID:34301

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO
Molecular Mass
195.6455
Exact Mass
195.04509163
Charge
0
InChI
InChI=1S/C10H9NO.ClH/c11-9-3-1-7-2-4-10(12)6-8(7)5-9;/h1-6,12H,11H2;1H
InChIKey
VDFLTUHMDULKQC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)cc(cc2)O.Cl
Isomeric Smiles
c1cc2c(cc1O)cc(cc2)N.Cl
Calculated Properties
JChem
Acid pKa
9.778365
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8151674
LogD (pH = 7.4)
1.8282366
Log P
1.8302313
Molar Refractivity
49.1895
Polarizability
19.634039
Polar Surface Area
46.25
Rotatable Bonds
0
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