Molecule

ID:73024

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O
Molecular Mass
246.34798
Exact Mass
246.17321333
Charge
0
InChI
InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1
InChIKey
AAGFPTSOPGCENQ-JLNYLFASSA-N
Canonic Smiles
O=C1C=CC[C@H]2N1C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3
Isomeric Smiles
C1=CC(=O)N2[C@H](C1)[C@@H]1[C@@H]3[C@H](C2)CCCN3CCC1
Calculated Properties
JChem
Acid pKa
17.835543
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.366152
LogD (pH = 7.4)
-1.3124717
Log P
1.0737509
Molar Refractivity
72.5418
Polarizability
27.934605
Polar Surface Area
23.55
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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