Molecule

ID:29447

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈ClNO
Molecular Mass
275.77322
Exact Mass
275.10769188
Charge
0
InChI
InChI=1S/C16H18ClNO/c1-2-11-19-16-9-3-13(4-10-16)12-18-15-7-5-14(17)6-8-15/h3-10,18H,2,11-12H2,1H3
InChIKey
AARQAURFBHMPMX-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)CNc1ccc(cc1)Cl
Isomeric Smiles
N(c1ccc(Cl)cc1)Cc1ccc(cc1)OCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.490984
LogD (pH = 7.4)
4.4961348
Log P
4.496201
Molar Refractivity
81.405
Polarizability
30.954441
Polar Surface Area
21.26
Rotatable Bonds
6
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