Molecule

ID:43329

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c1-8-2-4-9(5-3-8)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)
InChIKey
VOMXXXBTALQTAK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1cc[nH]n1
Isomeric Smiles
n1c(cc[nH]1)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
14.858734
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8237338
LogD (pH = 7.4)
2.8239245
Log P
2.823927
Molar Refractivity
49.5508
Polarizability
19.930357
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