Molecule

ID:56031

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c11-8-4-1-2-5-9(8)12-7-3-6-10(12)13/h1-2,4-5H,3,6-7,11H2
InChIKey
OFWIPSFSNBNOQC-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN1c1ccccc1N
Isomeric Smiles
N1(C(=O)CCC1)c1c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.47017917
LogD (pH = 7.4)
0.47306237
Log P
0.47309926
Molar Refractivity
51.6326
Polarizability
19.30021
Polar Surface Area
46.33
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