Molecule

ID:19933

General Information
Structure
Molecular Formula
C₁₇H₂₁NO
Molecular Mass
255.35474
Exact Mass
255.1623143
Charge
0
InChI
InChI=1S/C17H21NO/c1-4-13(3)14-6-8-15(9-7-14)19-17-11-12(2)5-10-16(17)18/h5-11,13H,4,18H2,1-3H3
InChIKey
FIDUJCPMGCNJPO-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)Oc1cc(C)ccc1N)C
Isomeric Smiles
c1(Oc2ccc(cc2)C(CC)C)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.84322
LogD (pH = 7.4)
4.847551
Log P
4.847606
Molar Refractivity
80.8322
Polarizability
30.893082
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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