Molecule

ID:113428

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c1-2-3-8-14-11-7-5-4-6-10(11)13-12(14)9-15/h4-7,9H,2-3,8H2,1H3
InChIKey
XCCVBLAZECLPMJ-UHFFFAOYSA-N
Canonic Smiles
CCCCn1c(C=O)nc2c1cccc2
Isomeric Smiles
n1c(n(c2c1cccc2)CCCC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1841068
LogD (pH = 7.4)
3.1857975
Log P
3.1858191
Molar Refractivity
59.7868
Polarizability
23.859446
Polar Surface Area
34.89
Rotatable Bonds
4
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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