Molecule

ID:28393

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN₃
Molecular Mass
223.70196
Exact Mass
223.08762514
Charge
0
InChI
InChI=1S/C11H13N3.ClH/c1-9-2-4-10(5-3-9)7-14-8-11(12)6-13-14;/h2-6,8H,7,12H2,1H3;1H
InChIKey
NLFMLYPLOKIDGW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Cn1ncc(c1)N.Cl
Isomeric Smiles
n1(ncc(c1)N)Cc1ccc(cc1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8100389
LogD (pH = 7.4)
1.810074
Log P
1.8100744
Molar Refractivity
69.3156
Polarizability
21.394825
Polar Surface Area
43.84
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