Molecule

ID:36975

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c13-10-2-1-7-12(10)8-9-3-5-11-6-4-9/h3-6H,1-2,7-8H2
InChIKey
ROGIKWDBLZYABK-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN1Cc1ccncc1
Isomeric Smiles
c1cnccc1CN1C(=O)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.04126351
LogD (pH = 7.4)
0.14924784
Log P
0.15086746
Molar Refractivity
49.6103
Polarizability
19.111513
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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