Molecule

ID:21485

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
InChIKey
FPTCVTJCJMVIDV-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cc1ccccc1
Isomeric Smiles
C(=O)(NN)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
13.006915
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.5058027
LogD (pH = 7.4)
0.50755244
Log P
0.5075758
Molar Refractivity
43.6719
Polarizability
16.641783
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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