Molecule

ID:58591

General Information
Structure
Molecular Formula
C₇H₈N₂O
Molecular Mass
136.15122
Exact Mass
136.06366289
Charge
0
InChI
InChI=1S/C7H8N2O/c1-5(2)7-3-6(4-8)10-9-7/h3,5H,1-2H3
InChIKey
CFWJELPCJZDRRO-UHFFFAOYSA-N
Canonic Smiles
N#Cc1onc(c1)C(C)C
Isomeric Smiles
n1c(cc(o1)C#N)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4887797
LogD (pH = 7.4)
1.4887809
Log P
1.4887809
Molar Refractivity
36.892
Polarizability
13.619632
Polar Surface Area
49.82
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