Molecule

ID:40448

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c1-10(12(15)6-8-14(2)3)16-11-5-4-7-13-9-11/h4-10H,1-3H3/b8-6+
InChIKey
SCXDZZBYICSCAT-SOFGYWHQSA-N
Canonic Smiles
CN(/C=C/C(=O)C(Oc1cccnc1)C)C
Isomeric Smiles
C(=C\N(C)C)/C(=O)C(Oc1cnccc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.32855275
LogD (pH = 7.4)
1.2788384
Log P
1.3186032
Molar Refractivity
62.8461
Polarizability
23.964329
Polar Surface Area
42.43
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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