Molecule

ID:37424

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂O
Molecular Mass
172.61216
Exact Mass
172.0403406
Charge
0
InChI
InChI=1S/C7H9ClN2O/c1-3-10-5(2)6(4-9-10)7(8)11/h4H,3H2,1-2H3
InChIKey
JXZDLGFZEAKOGB-UHFFFAOYSA-N
Canonic Smiles
Cc1c(cnn1CC)C(=O)Cl
Isomeric Smiles
n1(c(c(cn1)C(=O)Cl)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1483481
LogD (pH = 7.4)
1.1483872
Log P
1.1483877
Molar Refractivity
55.9744
Polarizability
16.32435
Polar Surface Area
34.89
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