Molecule

ID:57982

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₂O
Molecular Mass
266.33762
Exact Mass
266.14191321
Charge
0
InChI
InChI=1S/C17H18N2O/c1-10(2)12-7-8-16-15(9-12)19-17(20-16)13-5-4-6-14(18)11(13)3/h4-10H,18H2,1-3H3
InChIKey
GYENIIZQFKGFQT-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc2c(c1)nc(o2)c1cccc(c1C)N)C
Isomeric Smiles
c1c(cc2c(c1)oc(n2)c1c(c(ccc1)N)C)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.271688
LogD (pH = 7.4)
4.2741094
Log P
4.2741404
Molar Refractivity
91.7571
Polarizability
32.52879
Polar Surface Area
52.05
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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