Molecule

ID:34359

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃
Molecular Mass
187.24102
Exact Mass
187.11094743
Charge
0
InChI
InChI=1S/C11H13N3/c1-9-3-2-4-10(7-9)8-14-6-5-11(12)13-14/h2-7H,8H2,1H3,(H2,12,13)
InChIKey
SIBWFPZUZFRWBH-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)Cn1ccc(n1)N
Isomeric Smiles
c1cc(cc(c1)C)Cn1nc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3986738
LogD (pH = 7.4)
2.4044578
Log P
2.404532
Molar Refractivity
69.6291
Polarizability
21.386845
Polar Surface Area
43.84
Rotatable Bonds
2
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