Molecule

ID:19901

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-11(2)13-6-4-5-7-15(13)18-16-10-12(3)8-9-14(16)17/h4-11H,17H2,1-3H3
InChIKey
IDMRWBNNBDTNBY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Oc1ccccc1C(C)C)N
Isomeric Smiles
c1(Oc2c(C(C)C)cccc2)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.398205
LogD (pH = 7.4)
4.4029765
Log P
4.4030375
Molar Refractivity
76.2312
Polarizability
29.048298
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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