Molecule

ID:29282

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO
Molecular Mass
303.82638
Exact Mass
303.13899201
Charge
0
InChI
InChI=1S/C18H22ClNO/c1-2-3-14-21-18-10-8-17(9-11-18)20-13-12-15-4-6-16(19)7-5-15/h4-11,20H,2-3,12-14H2,1H3
InChIKey
ORMOCGYHMHATNP-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)NCCc1ccc(cc1)Cl
Isomeric Smiles
N(c1ccc(cc1)OCCCC)CCc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.6940494
LogD (pH = 7.4)
5.2162538
Log P
5.2294307
Molar Refractivity
90.761
Polarizability
34.57529
Polar Surface Area
21.26
Rotatable Bonds
8
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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