Molecule

ID:123261

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c1-2-12-8-6-4-3-5-7(8)9(11)10(12)13/h3-6,9H,2,11H2,1H3
InChIKey
PNRCXKLDZREYFW-UHFFFAOYSA-N
Canonic Smiles
CCN1c2ccccc2C(C1=O)N
Isomeric Smiles
N1(C(=O)C(c2c1cccc2)N)CC
Calculated Properties
JChem
Acid pKa
14.410405
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4928019
LogD (pH = 7.4)
0.1188063
Log P
0.47088397
Molar Refractivity
50.4451
Polarizability
19.680084
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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