Molecule

ID:58965

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)
InChIKey
IXNSPEIJKZNYLL-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCN1Cc1ccccc1
Isomeric Smiles
N1C(=O)N(CC1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
14.186251
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.8601425
LogD (pH = 7.4)
0.86014247
Log P
0.8601425
Molar Refractivity
50.4763
Polarizability
19.304596
Polar Surface Area
32.34
Rotatable Bonds
2
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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