Molecule

ID:42610

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈N₂O₂
Molecular Mass
268.39502
Exact Mass
268.21507815
Charge
0
InChI
InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12/h12-13,16H,4-11H2,1-3H3
InChIKey
NERBLCVCQKXTEP-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)C1CCNCC1)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(CC1)C1CCNCC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4122252
LogD (pH = 7.4)
-0.9553758
Log P
1.8193433
Molar Refractivity
76.7589
Polarizability
30.32565
Polar Surface Area
41.57
Rotatable Bonds
3
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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