Molecule

ID:14113

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₂O
Molecular Mass
236.35316
Exact Mass
236.1888634
Charge
0
InChI
InChI=1S/C14H24N2O/c1-14(2)8-12(7-13(17)9-14)16-10-11-3-5-15-6-4-11/h7,11,15-16H,3-6,8-10H2,1-2H3
InChIKey
GZAMZXZKUKFMAI-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(NCC2CCNCC2)CC(C1)(C)C
Isomeric Smiles
C1(=CC(=O)CC(C1)(C)C)NCC1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.495392
LogD (pH = 7.4)
-1.566707
Log P
1.146088
Molar Refractivity
71.8172
Polarizability
27.55402
Polar Surface Area
41.13
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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