Molecule

ID:29224

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO
Molecular Mass
303.82638
Exact Mass
303.13899201
Charge
0
InChI
InChI=1S/C18H22ClNO/c1-3-4-10-21-17-7-5-6-15(11-17)13-20-18-12-16(19)9-8-14(18)2/h5-9,11-12,20H,3-4,10,13H2,1-2H3
InChIKey
JQHSOTOTFLGFLW-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1)CNc1cc(Cl)ccc1C
Isomeric Smiles
c1(NCc2cc(OCCCC)ccc2)cc(ccc1C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.451319
LogD (pH = 7.4)
5.4541545
Log P
5.4541907
Molar Refractivity
91.0472
Polarizability
34.573483
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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