Molecule

ID:56470

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₃BrClNO
Molecular Mass
374.65892
Exact Mass
372.98690372
Charge
0
InChI
InChI=1S/C18H13BrClNO/c1-10-7-11(2)17-14(8-10)15(18(20)22)9-16(21-17)12-3-5-13(19)6-4-12/h3-9H,1-2H3
InChIKey
FBKMJCZHWHWKJY-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(cc(n2)c1ccc(cc1)Br)C(=O)Cl
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)Br)C(=O)Cl)cc(cc2C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.1504493
LogD (pH = 7.4)
6.1504836
Log P
6.150484
Molar Refractivity
93.5634
Polarizability
37.81331
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