Molecule

ID:50416

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c11-9-6-12(7-9)10(13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2
InChIKey
UMVRSUKQZOUCCV-UHFFFAOYSA-N
Canonic Smiles
NC1CN(C1)C(=O)c1ccccc1
Isomeric Smiles
N1(C(=O)c2ccccc2)CC(C1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4714882
LogD (pH = 7.4)
-1.0142108
Log P
0.36249655
Molar Refractivity
50.5808
Polarizability
19.479588
Polar Surface Area
46.33
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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