Molecule

ID:20402

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O
Molecular Mass
200.23648
Exact Mass
200.09496301
Charge
0
InChI
InChI=1S/C12H12N2O/c1-9-7-10(13)4-5-12(9)15-11-3-2-6-14-8-11/h2-8H,13H2,1H3
InChIKey
UAQLILFDDXPFIB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)Oc1cccnc1
Isomeric Smiles
c1(c(cc(N)cc1)C)Oc1cnccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8584329
LogD (pH = 7.4)
1.9392444
Log P
1.940356
Molar Refractivity
59.8835
Polarizability
22.667017
Polar Surface Area
48.14
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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