Molecule

ID:111407

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKey
UVQVMNIYFXZXCI-UHFFFAOYSA-N
Canonic Smiles
NC(=O)Nc1cccc(c1)C
Isomeric Smiles
Cc1cc(NC(=O)N)ccc1
Calculated Properties
JChem
Acid pKa
13.7742815
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.3908321
LogD (pH = 7.4)
1.3908318
Log P
1.3908321
Molar Refractivity
44.6389
Polarizability
16.263948
Polar Surface Area
55.12
Rotatable Bonds
1
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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