Molecule

ID:59486

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-5-6(2)9(3)7(4-10)8-5/h4H,1-3H3
InChIKey
RTPPLWUJHUAFLS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nc(c(n1C)C)C
Isomeric Smiles
n1c(n(c(c1C)C)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7362877
LogD (pH = 7.4)
0.7874282
Log P
0.78812337
Molar Refractivity
39.6987
Polarizability
14.348946
Polar Surface Area
34.89
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