Molecule

ID:65986

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClNO₂
Molecular Mass
261.70358
Exact Mass
261.05565631
Charge
0
InChI
InChI=1S/C14H12ClNO2/c1-18-14(17)12-5-2-10(3-6-12)8-11-4-7-13(15)16-9-11/h2-7,9H,8H2,1H3
InChIKey
JGEBRMTWXVJTCE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)Cc1ccc(nc1)Cl
Isomeric Smiles
C(=O)(c1ccc(Cc2cnc(Cl)cc2)cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6750362
LogD (pH = 7.4)
3.6750658
Log P
3.6750662
Molar Refractivity
71.5297
Polarizability
27.136097
Polar Surface Area
39.19
Rotatable Bonds
4
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