Molecule

ID:20535

General Information
Structure
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-11(2)13-5-4-6-14(10-13)18-15-7-8-16(17)12(3)9-15/h4-11H,17H2,1-3H3
InChIKey
SOIPIEDAWLMXIZ-UHFFFAOYSA-N
Canonic Smiles
CC(c1cccc(c1)Oc1ccc(c(c1)C)N)C
Isomeric Smiles
c1(c(ccc(c1)Oc1cc(C(C)C)ccc1)N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.382785
LogD (pH = 7.4)
4.4027767
Log P
4.4030375
Molar Refractivity
76.2312
Polarizability
29.046137
Polar Surface Area
35.25
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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