Molecule

ID:28779

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO
Molecular Mass
303.82638
Exact Mass
303.13899201
Charge
0
InChI
InChI=1S/C18H22ClNO/c1-3-16(21-17-9-6-7-14(2)11-17)13-20-12-15-8-4-5-10-18(15)19/h4-11,16,20H,3,12-13H2,1-2H3
InChIKey
SAUVEBVPHLEDTL-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1cccc(c1)C)CNCc1ccccc1Cl
Isomeric Smiles
c1(c(Cl)cccc1)CNCC(Oc1cc(ccc1)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.299266
LogD (pH = 7.4)
3.8918269
Log P
5.232208
Molar Refractivity
88.647
Polarizability
34.97513
Polar Surface Area
21.26
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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