Molecule

ID:30670

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClNO₃
Molecular Mass
249.64982
Exact Mass
249.0192708
Charge
0
InChI
InChI=1S/C12H8ClNO3/c13-12-8(6-15)3-7-4-10-11(5-9(7)14-12)17-2-1-16-10/h3-6H,1-2H2
InChIKey
QRUKDHRPKVWTHQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2cc3OCCOc3cc2nc1Cl
Isomeric Smiles
n1c(c(cc2c1cc1c(c2)OCCO1)C=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1807551
LogD (pH = 7.4)
2.1807573
Log P
2.1807573
Molar Refractivity
63.3868
Polarizability
25.0962
Polar Surface Area
48.42
Rotatable Bonds
1
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