Molecule

ID:119455

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12-,13-,15+/m1/s1
InChIKey
ZSBXGIUJOOQZMP-BHPKHCPMSA-N
Canonic Smiles
O=C1CCC[C@H]2N1C[C@H]1CCCN3[C@@H]1[C@@H]2CCC3
Isomeric Smiles
N12[C@@H]([C@@H]3[C@@H]4[C@@H](C1)CCCN4CCC3)CCCC2=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.3545308
LogD (pH = 7.4)
-1.248441
Log P
1.0759273
Molar Refractivity
71.4485
Polarizability
28.175423
Polar Surface Area
23.55
Rotatable Bonds
0
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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