Molecule

ID:23449

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-10-8(11)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3,(H,10,11)
InChIKey
XAGFYNSCWICYPA-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1ccc(cc1)N
Isomeric Smiles
C(=O)(c1ccc(N)cc1)NC
Calculated Properties
JChem
Acid pKa
15.690395
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.21523958
LogD (pH = 7.4)
0.21859328
Log P
0.21863621
Molar Refractivity
44.7335
Polarizability
16.14035
Polar Surface Area
55.12
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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