Molecule

ID:101124

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c15-10-13-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2
InChIKey
KYBLFIQZSMHBII-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccccc1N1CCCCC1
Isomeric Smiles
N1(c2c(N=C=O)cccc2)CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8411596
LogD (pH = 7.4)
2.8412108
Log P
2.8412116
Molar Refractivity
61.7006
Polarizability
22.251884
Polar Surface Area
32.67
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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