Molecule

ID:19905

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO
Molecular Mass
255.35474
Exact Mass
255.1623143
Charge
0
InChI
InChI=1S/C17H21NO/c1-11(2)14-7-6-13(4)16(10-14)19-17-9-12(3)5-8-15(17)18/h5-11H,18H2,1-4H3
InChIKey
YLCQAJUXKTZZJF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Oc1cc(ccc1C)C(C)C)N
Isomeric Smiles
c1(Oc2c(ccc(c2)C)N)cc(ccc1C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.911365
LogD (pH = 7.4)
4.916394
Log P
4.916459
Molar Refractivity
81.2724
Polarizability
30.814198
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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