Molecule

ID:20159

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-3-12(2)13-4-8-15(9-5-13)18-16-10-6-14(17)7-11-16/h4-12H,3,17H2,1-2H3
InChIKey
FVOCJIITSMGLHY-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)Oc1ccc(cc1)N)C
Isomeric Smiles
c1(ccc(Oc2ccc(N)cc2)cc1)C(CC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.306826
LogD (pH = 7.4)
4.3338294
Log P
4.3341846
Molar Refractivity
75.791
Polarizability
29.12552
Polar Surface Area
35.25
Rotatable Bonds
4
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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