Molecule

ID:29314

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H20ClNO/c1-2-13-20-17-9-7-16(8-10-17)19-12-11-14-3-5-15(18)6-4-14/h3-10,19H,2,11-13H2,1H3
InChIKey
CYFMFNSPWCFWJZ-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)NCCc1ccc(cc1)Cl
Isomeric Smiles
N(c1ccc(cc1)OCCC)CCc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.249449
LogD (pH = 7.4)
4.7716837
Log P
4.784862
Molar Refractivity
86.16
Polarizability
32.731136
Polar Surface Area
21.26
Rotatable Bonds
7
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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