Molecule

ID:18352

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO
Molecular Mass
157.59752
Exact Mass
157.02944156
Charge
0
InChI
InChI=1S/C7H8ClNO/c1-9-3-2-6(5-9)7(10)4-8/h2-3,5H,4H2,1H3
InChIKey
VEQMYTRZOPIVAE-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccn(c1)C
Isomeric Smiles
c1(cn(cc1)C)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.216879
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3717973
LogD (pH = 7.4)
1.3717973
Log P
1.3717973
Molar Refractivity
40.8695
Polarizability
15.387686
Polar Surface Area
22.0
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