Molecule

ID:34664

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-7-3-2-4-8(5-7)9-6-10(11)13-12-9/h2-6H,11H2,1H3
InChIKey
ONTZXIMFRONHNL-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1noc(c1)N
Isomeric Smiles
c1c(noc1N)c1cc(ccc1)C
Calculated Properties
JChem
Acid pKa
15.772325
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1445527
LogD (pH = 7.4)
2.1446521
Log P
2.1446533
Molar Refractivity
51.2591
Polarizability
20.173828
Polar Surface Area
52.05
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