Molecule

ID:53581

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂O
Molecular Mass
270.36938
Exact Mass
270.17321333
Charge
0
InChI
InChI=1S/C17H22N2O/c1-12(2)16(19-9-5-6-10-19)17(20)18-15-8-7-13(3)14(4)11-15/h5-12,16H,1-4H3,(H,18,20)
InChIKey
KPCZWMSGCJLOAZ-UHFFFAOYSA-N
Canonic Smiles
CC(C(n1cccc1)C(=O)Nc1ccc(c(c1)C)C)C
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)C)C)C(n1cccc1)C(C)C
Calculated Properties
JChem
Acid pKa
13.488107
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.6721935
LogD (pH = 7.4)
4.672193
Log P
4.6721935
Molar Refractivity
83.6473
Polarizability
31.575592
Polar Surface Area
34.03
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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