Molecule

ID:75850

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O
Molecular Mass
216.27894
Exact Mass
216.12626314
Charge
0
InChI
InChI=1S/C13H16N2O/c16-13(15-10-8-14-9-11-15)7-6-12-4-2-1-3-5-12/h1-7,14H,8-11H2
InChIKey
DLCYXQODDJUHQL-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCNCC1)/C=C/c1ccccc1
Isomeric Smiles
N1(C(=O)/C=C/c2ccccc2)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0334872
LogD (pH = 7.4)
0.6804247
Log P
1.2405674
Molar Refractivity
65.4309
Polarizability
25.06614
Polar Surface Area
32.34
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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