Molecule

ID:29477

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO₂
Molecular Mass
305.7992
Exact Mass
305.11825657
Charge
0
InChI
InChI=1S/C17H20ClNO2/c1-3-20-15-6-4-5-14(12-15)19-9-10-21-16-7-8-17(18)13(2)11-16/h4-8,11-12,19H,3,9-10H2,1-2H3
InChIKey
IAKIGHCOYZXESD-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)NCCOc1ccc(c(c1)C)Cl
Isomeric Smiles
c1(c(ccc(c1)OCCNc1cc(OCC)ccc1)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.399717
LogD (pH = 7.4)
4.406588
Log P
4.4066763
Molar Refractivity
87.8618
Polarizability
33.400394
Polar Surface Area
30.49
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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