Molecule

ID:35329

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃
Molecular Mass
187.24102
Exact Mass
187.11094743
Charge
0
InChI
InChI=1S/C11H13N3/c1-8-3-5-10(6-4-8)14-11(12)7-9(2)13-14/h3-7H,12H2,1-2H3
InChIKey
WQUNBEPKWJLYJD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)n1nc(cc1N)C
Isomeric Smiles
n1(c(cc(n1)C)N)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9524198
LogD (pH = 7.4)
1.9640703
Log P
1.9642209
Molar Refractivity
58.0061
Polarizability
22.08398
Polar Surface Area
43.84
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