Molecule
ID:123681
General Information
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKey
LBWKDTFSPUMSAT-UHFFFAOYSA-N
Canonic Smiles
NC(=O)Cc1cccc(c1)N
Isomeric Smiles
C(=O)(Cc1cc(N)ccc1)N
Calculated Properties
JChem
Acid pKa
16.561443
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.050449643
LogD (pH = 7.4)
-0.02520609
Log P
-0.024874462
Molar Refractivity
43.8882
Polarizability
16.355564
Polar Surface Area
69.11
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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