Molecule
ID:124017
General Information
Molecular Formula
C₉H₁₂N₂O
Molecular Mass
164.20438
Exact Mass
164.09496301
Charge
0
InChI
InChI=1S/C9H12N2O/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7,10H2,1H3
InChIKey
RXBFSGCVJMHEIV-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)N(c1ccccc1)C
Isomeric Smiles
N(C(=O)CN)(c1ccccc1)C
Calculated Properties
JChem
Acid pKa
17.74777
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2167435
LogD (pH = 7.4)
-0.5222835
Log P
0.1508924
Molar Refractivity
47.3966
Polarizability
18.574772
Polar Surface Area
46.33
Rotatable Bonds
2
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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