Molecule

ID:71204

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO
Molecular Mass
193.62962
Exact Mass
193.02944156
Charge
0
InChI
InChI=1S/C10H8ClNO/c1-13-8-2-3-9-7(6-8)4-5-12-10(9)11/h2-6H,1H3
InChIKey
UTZJYSXOFHCSGZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)ccnc2Cl
Isomeric Smiles
c1(nccc2cc(ccc12)OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.411349
LogD (pH = 7.4)
2.4115975
Log P
2.4116008
Molar Refractivity
52.6806
Polarizability
21.38696
Polar Surface Area
22.12
Rotatable Bonds
1
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