Molecule

ID:13089

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO
Molecular Mass
255.35474
Exact Mass
255.1623143
Charge
0
InChI
InChI=1S/C17H21NO/c1-13(2)12-16(15-8-5-4-6-9-15)18-14(3)17-10-7-11-19-17/h4-11,14,16,18H,1,12H2,2-3H3
InChIKey
OLLUPEAIUMBQDV-UHFFFAOYSA-N
Canonic Smiles
CC(=C)CC(c1ccccc1)NC(c1ccco1)C
Isomeric Smiles
c1cc(oc1)C(NC(CC(=C)C)c1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4860401
LogD (pH = 7.4)
3.2170517
Log P
4.0559287
Molar Refractivity
78.5982
Polarizability
31.006138
Polar Surface Area
25.17
Rotatable Bonds
6
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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