Molecule

ID:14186

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClN₃
Molecular Mass
271.74476
Exact Mass
271.08762514
Charge
0
InChI
InChI=1S/C15H14ClN3/c1-19-10-18-14-8-13(6-7-15(14)19)17-9-11-2-4-12(16)5-3-11/h2-8,10,17H,9H2,1H3
InChIKey
LAVCBAWFHPXCPY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CNc1ccc2c(c1)ncn2C
Isomeric Smiles
c12c(ccc(c1)NCc1ccc(cc1)Cl)n(cn2)C
Calculated Properties
JChem
Acid pKa
19.455036
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4166222
LogD (pH = 7.4)
3.1363597
Log P
3.284476
Molar Refractivity
79.4764
Polarizability
30.846045
Polar Surface Area
29.85
Rotatable Bonds
3
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