Molecule

ID:15328

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁NO
Molecular Mass
267.36544
Exact Mass
267.1623143
Charge
0
InChI
InChI=1S/C18H21NO/c1-2-6-15(7-3-1)14-16-8-4-5-9-18(16)20-17-10-12-19-13-11-17/h1-9,17,19H,10-14H2
InChIKey
FZBQOBOSIQUVSG-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Oc1ccccc1Cc1ccccc1
Isomeric Smiles
c1(c(Cc2ccccc2)cccc1)OC1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.34372807
LogD (pH = 7.4)
1.1880468
Log P
3.5511267
Molar Refractivity
82.4148
Polarizability
32.42347
Polar Surface Area
21.26
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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