Molecule

ID:71212

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₉N₃O₂
Molecular Mass
319.44176
Exact Mass
319.22597718
Charge
0
InChI
InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
InChIKey
HUDQLWBKJOMXSZ-UHFFFAOYSA-N
Canonic Smiles
O=C(NC12CC3CC(C2)CC(C1)C3)NC1CCN(CC1)C(=O)C
Isomeric Smiles
N(C(=O)NC12CC3CC(C1)CC(C2)C3)C1CCN(CC1)C(=O)C
Calculated Properties
JChem
Acid pKa
15.076107
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.42862153
LogD (pH = 7.4)
0.4286251
Log P
0.42862514
Molar Refractivity
88.2751
Polarizability
34.532932
Polar Surface Area
61.44
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
Molecule Details
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References
Bioactivity
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