Molecule

ID:23638

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂O
Molecular Mass
164.20438
Exact Mass
164.09496301
Charge
0
InChI
InChI=1S/C9H12N2O/c1-11(2)9(12)7-3-5-8(10)6-4-7/h3-6H,10H2,1-2H3
InChIKey
QEPGWLBMAAEBCP-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1ccc(cc1)N)C
Isomeric Smiles
C(=O)(c1ccc(N)cc1)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4388346
LogD (pH = 7.4)
0.44226834
Log P
0.4423123
Molar Refractivity
49.6302
Polarizability
17.980057
Polar Surface Area
46.33
Rotatable Bonds
1
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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