Molecule

ID:17728

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂O
Molecular Mass
270.36938
Exact Mass
270.17321333
Charge
0
InChI
InChI=1S/C17H22N2O/c18-15-3-1-2-14(7-15)16(20)19-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10,18H2,(H,19,20)
InChIKey
YHCFEXGSXLTSHW-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)NC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(NC(=O)c3cc(ccc3)N)CC3CC(C1)CC(C2)C3
Calculated Properties
JChem
Acid pKa
15.332089
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3073246
LogD (pH = 7.4)
2.3100083
Log P
2.3100426
Molar Refractivity
80.3503
Polarizability
30.528973
Polar Surface Area
55.12
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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