Molecule

ID:74534

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃ClN₂
Molecular Mass
184.66592
Exact Mass
184.07672611
Charge
0
InChI
InChI=1S/C9H12N2.ClH/c1-7-6-8-4-2-3-5-9(8)11(7)10;/h2-5,7H,6,10H2,1H3;1H
InChIKey
RITRKULRSHGFQQ-UHFFFAOYSA-N
Canonic Smiles
NN1C(C)Cc2c1cccc2.Cl
Isomeric Smiles
N1(c2c(cccc2)CC1C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2739673
LogD (pH = 7.4)
1.85251
Log P
1.8682681
Molar Refractivity
57.2984
Polarizability
17.622553
Polar Surface Area
29.26
Rotatable Bonds
0
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