Molecule

ID:30762

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c1-9-4-5-11(12-7-9)13-6-2-3-10(13)8-14/h2-8H,1H3
InChIKey
DCUWZEJANRCMES-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1c1ccc(cn1)C
Isomeric Smiles
n1(c2ncc(cc2)C)c(ccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8159196
LogD (pH = 7.4)
1.8548793
Log P
1.8554
Molar Refractivity
65.4697
Polarizability
20.39787
Polar Surface Area
34.89
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