Molecule
ID:121914
General Information
Molecular Formula
C₁₆H₁₆N₂O
Molecular Mass
252.31104
Exact Mass
252.12626314
Charge
0
InChI
InChI=1S/C16H16N2O/c17-18-15(19)14-11-16(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,17H2,(H,18,19)
InChIKey
BERIITZPKWMYDS-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CC1(c1ccccc1)c1ccccc1
Isomeric Smiles
C1(C(C1)C(=O)NN)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
12.954195
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3052034
LogD (pH = 7.4)
2.3076737
Log P
2.3077064
Molar Refractivity
86.0573
Polarizability
29.209118
Polar Surface Area
55.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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