Molecule

ID:14340

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂O
Molecular Mass
252.31104
Exact Mass
252.12626314
Charge
0
InChI
InChI=1S/C16H16N2O/c1-9-7-14-15(8-10(9)2)19-16(18-14)12-5-4-6-13(17)11(12)3/h4-8H,17H2,1-3H3
InChIKey
UYRCQVZYZSCLIK-UHFFFAOYSA-N
Canonic Smiles
Cc1c(N)cccc1c1oc2c(n1)cc(c(c2)C)C
Isomeric Smiles
c1(c2c(c(ccc2)N)C)nc2c(o1)cc(c(c2)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.0528884
LogD (pH = 7.4)
4.055935
Log P
4.055974
Molar Refractivity
87.6487
Polarizability
30.599285
Polar Surface Area
52.05
Rotatable Bonds
1
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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