Molecule

ID:35018

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈N₂O
Molecular Mass
252.39562
Exact Mass
252.22016353
Charge
0
InChI
InChI=1S/C15H28N2O/c1-11-5-4-6-15(12(11)2)16-14-7-9-17(10-8-14)13(3)18/h11-12,14-16H,4-10H2,1-3H3
InChIKey
ZPLRHLITMOXCRU-UHFFFAOYSA-N
Canonic Smiles
CC1CCCC(C1C)NC1CCN(CC1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CCC(NC2C(C(CCC2)C)C)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7274498
LogD (pH = 7.4)
-1.566712
Log P
1.5120845
Molar Refractivity
74.4501
Polarizability
29.63688
Polar Surface Area
32.34
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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