Molecule

ID:17566

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₂O
Molecular Mass
266.33762
Exact Mass
266.14191321
Charge
0
InChI
InChI=1S/C17H18N2O/c1-12-9-15(11-20)13(2)19(12)8-7-14-10-18-17-6-4-3-5-16(14)17/h3-6,9-11,18H,7-8H2,1-2H3
InChIKey
AVHBVLXBUKWXGC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)CCc1c[nH]c2c1cccc2)C
Isomeric Smiles
c12c(CCn3c(c(cc3C)C=O)C)c[nH]c1cccc2
Calculated Properties
JChem
Acid pKa
17.114758
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5003273
LogD (pH = 7.4)
3.5003273
Log P
3.5003273
Molar Refractivity
83.051
Polarizability
31.828196
Polar Surface Area
37.79
Rotatable Bonds
4
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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