Molecule

ID:48397

General Information
Structure
Molecular Formula
C₆H₈ClN₃
Molecular Mass
157.60082
Exact Mass
157.04067495
Charge
0
InChI
InChI=1S/C6H8ClN3/c1-10(2)6-4-8-3-5(7)9-6/h3-4H,1-2H3
InChIKey
IEITVVMHFLZNPZ-UHFFFAOYSA-N
Canonic Smiles
CN(c1cncc(n1)Cl)C
Isomeric Smiles
n1c(N(C)C)cncc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0646218
LogD (pH = 7.4)
1.0646242
Log P
1.0646242
Molar Refractivity
42.3524
Polarizability
15.340877
Polar Surface Area
29.02
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