Molecule

ID:124743

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c12-7-11(14)13-10-5-8-3-1-2-4-9(8)6-10/h1-4,10H,5-7,12H2,(H,13,14)
InChIKey
UWPTYLJSWCCUFZ-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NC1Cc2c(C1)cccc2
Isomeric Smiles
C1(NC(=O)CN)Cc2c(C1)cccc2
Calculated Properties
JChem
Acid pKa
15.58393
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.110766
LogD (pH = 7.4)
-0.42756137
Log P
0.3820478
Molar Refractivity
55.0697
Polarizability
21.538565
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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