Molecule

ID:23529

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
InChIKey
CHMBIJAOCISYEW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)C
Calculated Properties
JChem
Acid pKa
16.15776
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.36735225
LogD (pH = 7.4)
0.3818423
Log P
0.38203022
Molar Refractivity
45.6214
Polarizability
16.345066
Polar Surface Area
55.12
Rotatable Bonds
1
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
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Related Proteins
No Data Available
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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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