Molecule

ID:40220

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂ClNO
Molecular Mass
173.63998
Exact Mass
173.06074169
Charge
0
InChI
InChI=1S/C8H11NO.ClH/c1-7-2-4-8(5-3-7)6-10-9;/h2-5H,6,9H2,1H3;1H
InChIKey
NBWBUEQJIPSFEX-UHFFFAOYSA-N
Canonic Smiles
NOCc1ccc(cc1)C.Cl
Isomeric Smiles
c1c(ccc(c1)CON)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8604207
LogD (pH = 7.4)
1.8751676
Log P
1.8753588
Molar Refractivity
41.9848
Polarizability
16.156487
Polar Surface Area
35.25
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