Molecule

ID:21546

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O
Molecular Mass
226.27376
Exact Mass
226.11061308
Charge
0
InChI
InChI=1S/C14H14N2O/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h1-9H,10,15H2,(H,16,17)
InChIKey
ANVAEYULLAJMQX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1N)NCc1ccccc1
Isomeric Smiles
c1(C(=O)NCc2ccccc2)c(N)cccc1
Calculated Properties
JChem
Acid pKa
15.386309
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.592152
LogD (pH = 7.4)
2.5930972
Log P
2.5931094
Molar Refractivity
69.3461
Polarizability
25.741163
Polar Surface Area
55.12
Rotatable Bonds
3
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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