Molecule

ID:634

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)
InChIKey
SZQIFWWUIBRPBZ-UHFFFAOYSA-N
Canonic Smiles
CCN1C(=O)NC(C1=O)c1ccccc1
Isomeric Smiles
O=C1N(C(=O)NC1c1ccccc1)CC
Calculated Properties
JChem
LogD (pH = 7.4)
1.07
LogD (pH = 5.5)
1.07
Log P
1.07
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
11.16
Polar Surface Area
49.41
Polarizability
20.94
Molar Refractivity
55.05
LOG S
-2.38
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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