Molecule

ID:87384

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO
Molecular Mass
207.6562
Exact Mass
207.04509163
Charge
0
InChI
InChI=1S/C11H10ClNO/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
OXNKNGMCTHWKAU-UHFFFAOYSA-N
Canonic Smiles
ClCc1oc(nc1C)c1ccccc1
Isomeric Smiles
o1c(c(nc1c1ccccc1)C)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5785193
LogD (pH = 7.4)
2.5785208
Log P
2.5785208
Molar Refractivity
66.2049
Polarizability
22.002108
Polar Surface Area
26.03
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