Molecule

ID:21105

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈ClNO
Molecular Mass
287.78392
Exact Mass
287.10769188
Charge
0
InChI
InChI=1S/C17H18ClNO/c18-15-6-7-17(20-16-8-9-19-12-16)14(11-15)10-13-4-2-1-3-5-13/h1-7,11,16,19H,8-10,12H2
InChIKey
FDZIEVZAPVOSFO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cc1ccccc1)OC1CNCC1
Isomeric Smiles
c1(c(OC2CCNC2)ccc(c1)Cl)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8648771
LogD (pH = 7.4)
1.3534151
Log P
4.0952115
Molar Refractivity
82.3542
Polarizability
32.388023
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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