Molecule

ID:14417

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N
Molecular Mass
213.31806
Exact Mass
213.15174961
Charge
0
InChI
InChI=1S/C15H19N/c1-3-7-13-11-12-9-5-6-10-14(12)15(16-13)8-4-2/h3-6,9-10,13,15-16H,1-2,7-8,11H2
InChIKey
LKIGZPJQDYMQKT-UHFFFAOYSA-N
Canonic Smiles
C=CCC1NC(CC=C)c2c(C1)cccc2
Isomeric Smiles
c12c(C(NC(C1)CC=C)CC=C)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.53762025
LogD (pH = 7.4)
1.5057096
Log P
3.7308393
Molar Refractivity
69.7914
Polarizability
27.236586
Polar Surface Area
12.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
References
Bioactivity
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