Molecule

ID:76948

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N
Molecular Mass
207.27042
Exact Mass
207.10479942
Charge
0
InChI
InChI=1S/C15H13N/c1-12-6-5-9-15-10-14(11-16(12)15)13-7-3-2-4-8-13/h2-11H,1H3
InChIKey
INOVZESTRNGOLS-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2n1cc(c2)c1ccccc1
Isomeric Smiles
n12c(cccc1cc(c2)c1ccccc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4565465
LogD (pH = 7.4)
3.4565465
Log P
3.4565465
Molar Refractivity
68.4266
Polarizability
27.808813
Polar Surface Area
4.41
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