Molecule

ID:82871

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c1-14(2)8-4-7-11-5-3-6-12(9-11)10-13-15/h3,5-6,9-10,15H,8H2,1-2H3
InChIKey
YNDFBDFNMLUKBY-UHFFFAOYSA-N
Canonic Smiles
O/N=C/c1cccc(c1)C#CCN(C)C
Isomeric Smiles
N(=C\c1cc(ccc1)C#CCN(C)C)/O
Calculated Properties
JChem
Acid pKa
7.4290648
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.18216656
LogD (pH = 7.4)
1.3910761
Log P
1.5123236
Molar Refractivity
60.6383
Polarizability
23.208527
Polar Surface Area
35.83
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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