Molecule

ID:6851

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂
Molecular Mass
146.1891
Exact Mass
146.08439833
Charge
0
InChI
InChI=1S/C9H10N2/c1-2-8-5-7(6-10)3-4-9(8)11/h3-5H,2,11H2,1H3
InChIKey
YOHLABDNVQLZIA-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(C#N)ccc1N
Isomeric Smiles
c1(C#N)cc(c(cc1)N)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9583613
LogD (pH = 7.4)
1.9584055
Log P
1.9584061
Molar Refractivity
46.1222
Polarizability
16.910204
Polar Surface Area
49.81
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