Molecule

ID:40177

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂O
Molecular Mass
164.20438
Exact Mass
164.09496301
Charge
0
InChI
InChI=1S/C9H12N2O/c1-7(12)11(2)9-5-3-8(10)4-6-9/h3-6H,10H2,1-2H3
InChIKey
QFELUFGHFLYZEZ-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)N)C(=O)C
Isomeric Smiles
N(C(=O)C)(c1ccc(N)cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.23249553
LogD (pH = 7.4)
0.24592237
Log P
0.2460963
Molar Refractivity
48.7373
Polarizability
18.185398
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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