Molecule

ID:56416

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄ClNO
Molecular Mass
295.76286
Exact Mass
295.07639175
Charge
0
InChI
InChI=1S/C18H14ClNO/c1-11-6-8-13(9-7-11)16-10-15(18(19)21)14-5-3-4-12(2)17(14)20-16/h3-10H,1-2H3
InChIKey
IAGJAEMEVTWLRQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)C)C(=O)Cl)cccc2C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.3817
LogD (pH = 7.4)
5.381731
Log P
5.3817315
Molar Refractivity
85.9406
Polarizability
35.248775
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
false
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