Molecule

ID:43048

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₂O
Molecular Mass
236.35316
Exact Mass
236.1888634
Charge
0
InChI
InChI=1S/C14H24N2O/c1-6-11-7-12(9-15(2)3)14(17)13(8-11)10-16(4)5/h7-8,17H,6,9-10H2,1-5H3
InChIKey
NRFVYJJGFBUXNQ-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(CN(C)C)c(c(c1)CN(C)C)O
Isomeric Smiles
c1(c(c(cc(c1)CC)CN(C)C)O)CN(C)C
Calculated Properties
JChem
Acid pKa
7.4344673
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7079237
LogD (pH = 7.4)
-0.7016882
Log P
0.9323981
Molar Refractivity
74.7665
Polarizability
28.658232
Polar Surface Area
26.71
Rotatable Bonds
5
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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