Molecule

ID:75879

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-15-7-2-8-16(10-9-15)11-13-3-5-14(12-17)6-4-13/h3-6,12H,2,7-11H2,1H3
InChIKey
WFLDZQQKNFWMAY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)CN1CCCN(CC1)C
Isomeric Smiles
O=Cc1ccc(cc1)CN1CCCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.454008
LogD (pH = 7.4)
0.30806533
Log P
1.5342243
Molar Refractivity
72.1002
Polarizability
27.449993
Polar Surface Area
23.55
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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