Molecule

ID:126263

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO
Molecular Mass
211.25912
Exact Mass
211.09971404
Charge
0
InChI
InChI=1S/C14H13NO/c1-15-10-8-13(9-11-15)3-2-12-4-6-14(16)7-5-12/h2-11H,1H3
InChIKey
DBOHWMPKJCJANT-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C/C(=C/C=c/2\ccn(cc2)C)/C=C1
Isomeric Smiles
Cn1cc/c(=C/C=C\2/C=CC(=O)C=C2)/cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2653835
LogD (pH = 7.4)
1.8323225
Log P
1.8474883
Molar Refractivity
71.7453
Polarizability
24.846191
Polar Surface Area
20.31
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
References
Bioactivity
Navigation