Molecule

ID:83446

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO
Molecular Mass
221.25394
Exact Mass
221.08406398
Charge
0
InChI
InChI=1S/C15H11NO/c16-11-14-15(17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChIKey
OCTGGDPNHOTSIG-UHFFFAOYSA-N
Canonic Smiles
N#CC1OC1(c1ccccc1)c1ccccc1
Isomeric Smiles
O1C(C1C#N)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9946754
LogD (pH = 7.4)
2.9946754
Log P
2.9946754
Molar Refractivity
64.8387
Polarizability
25.254004
Polar Surface Area
36.32
Rotatable Bonds
2
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