Molecule

ID:77124

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c13-8-9-3-4-10(11-7-9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2
InChIKey
FFFAXGTZBUMKTI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(nc1)N1CCCC1
Isomeric Smiles
n1cc(ccc1N1CCCC1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4204608
LogD (pH = 7.4)
1.5739857
Log P
1.5763745
Molar Refractivity
52.7682
Polarizability
19.100075
Polar Surface Area
33.2
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