Molecule

ID:123864

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₂
Molecular Mass
242.27316
Exact Mass
242.1055277
Charge
0
InChI
InChI=1S/C14H14N2O2/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10,15H2,(H,16,17)
InChIKey
OBZCGDXSJPVRFQ-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)Nc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
C(=O)(Nc1ccc(Oc2ccccc2)cc1)CN
Calculated Properties
JChem
Acid pKa
13.872938
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.5859456
LogD (pH = 7.4)
1.108465
Log P
1.7871135
Molar Refractivity
70.5215
Polarizability
27.061903
Polar Surface Area
64.35
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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