Molecule

ID:86669

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₃N
Molecular Mass
243.30252
Exact Mass
243.10479942
Charge
0
InChI
InChI=1S/C18H13N/c1-3-7-16-14(5-1)15-6-2-4-8-17(15)18(16)13-9-11-19-12-10-13/h1-12,18H
InChIKey
QZQYNZZUBLVQAM-UHFFFAOYSA-N
Canonic Smiles
n1ccc(cc1)C1c2ccccc2c2c1cccc2
Isomeric Smiles
n1ccc(cc1)C1c2c(cccc2)c2c1cccc2
Calculated Properties
JChem
Acid pKa
16.63819
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8556933
LogD (pH = 7.4)
3.940936
Log P
3.9421701
Molar Refractivity
77.3601
Polarizability
31.182463
Polar Surface Area
12.89
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