Molecule

ID:48554

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClN₂O
Molecular Mass
272.72952
Exact Mass
272.07164073
Charge
0
InChI
InChI=1S/C15H13ClN2O/c16-14-12(7-3-9-17-14)15(19)18-10-4-6-11-5-1-2-8-13(11)18/h1-3,5,7-9H,4,6,10H2
InChIKey
LKWNACRXXWDGLD-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1C(=O)N1CCCc2c1cccc2
Isomeric Smiles
C(=O)(N1c2c(CCC1)cccc2)c1c(nccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0202024
LogD (pH = 7.4)
3.0202034
Log P
3.0202034
Molar Refractivity
76.3272
Polarizability
28.778341
Polar Surface Area
33.2
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