Molecule

ID:52032

General Information
Structure
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3,(H,10,11)
InChIKey
KIMWOULVHFLJIU-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1ccccc1N
Isomeric Smiles
C(=O)(c1c(cccc1)N)NC
Calculated Properties
JChem
Acid pKa
15.324653
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.867705
LogD (pH = 7.4)
0.8686245
Log P
0.86863625
Molar Refractivity
44.7335
Polarizability
16.142242
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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