Molecule

ID:92205

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c13-8-9-3-4-11-10(7-9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2
InChIKey
QPKFMHRNVDJMLZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccnc(c1)N1CCCC1
Isomeric Smiles
n1ccc(cc1N1CCCC1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5367184
LogD (pH = 7.4)
1.5758505
Log P
1.5763745
Molar Refractivity
52.7682
Polarizability
19.100958
Polar Surface Area
33.2
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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