Molecule

ID:26913

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO
Molecular Mass
197.66138
Exact Mass
197.06074169
Charge
0
InChI
InChI=1S/C10H12ClNO/c1-7-3-4-8(2)9(5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
HNZGXKCXAZJSSV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1NC(=O)CCl)C
Isomeric Smiles
c1(NC(=O)CCl)c(ccc(c1)C)C
Calculated Properties
JChem
Acid pKa
13.619673
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7751427
LogD (pH = 7.4)
2.7751424
Log P
2.7751427
Molar Refractivity
55.7566
Polarizability
20.56191
Polar Surface Area
29.1
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