Molecule

ID:59601

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂
Molecular Mass
194.2319
Exact Mass
194.08439833
Charge
0
InChI
InChI=1S/C13H10N2/c1-2-4-11-9-12(6-5-10(11)3-1)13-7-8-14-15-13/h1-9H,(H,14,15)
InChIKey
CDBVYNAEDCHKAV-UHFFFAOYSA-N
Canonic Smiles
c1[nH]nc(c1)c1ccc2c(c1)cccc2
Isomeric Smiles
n1c(c2cc3c(cc2)cccc3)cc[nH]1
Calculated Properties
JChem
Acid pKa
14.810463
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2998126
LogD (pH = 7.4)
3.2999802
Log P
3.2999823
Molar Refractivity
60.9598
Polarizability
25.820183
Polar Surface Area
28.68
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