Molecule

ID:27267

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O
Molecular Mass
226.27376
Exact Mass
226.11061308
Charge
0
InChI
InChI=1S/C14H14N2O/c15-16-14(17)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10,15H2,(H,16,17)
InChIKey
MLSJQOUEHHYKAD-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cc1ccc(cc1)c1ccccc1
Isomeric Smiles
C(=O)(NN)Cc1ccc(c2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
13.120888
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.153028
LogD (pH = 7.4)
2.154778
Log P
2.1548011
Molar Refractivity
68.8081
Polarizability
27.65988
Polar Surface Area
55.12
Rotatable Bonds
3
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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