Molecule

ID:29377

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO
Molecular Mass
255.35474
Exact Mass
255.1623143
Charge
0
InChI
InChI=1S/C17H21NO/c1-13(2)19-17-10-8-16(9-11-17)18-12-15-6-4-14(3)5-7-15/h4-11,13,18H,12H2,1-3H3
InChIKey
YXIUIZAVPABKSZ-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)NCc1ccc(cc1)C)C
Isomeric Smiles
N(c1ccc(OC(C)C)cc1)Cc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1955557
LogD (pH = 7.4)
4.298151
Log P
4.29963
Molar Refractivity
81.5362
Polarizability
30.911484
Polar Surface Area
21.26
Rotatable Bonds
5
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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