Molecule

ID:45300

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀ClNO
Molecular Mass
265.7784
Exact Mass
265.12334195
Charge
0
InChI
InChI=1S/C15H19NO.ClH/c1-2-3-10-17-15-9-8-12-6-4-5-7-13(12)14(15)11-16;/h4-9H,2-3,10-11,16H2,1H3;1H
InChIKey
NAZNILQODRXFAJ-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc2c(c1CN)cccc2.Cl
Isomeric Smiles
c1(c2c(ccc1OCCCC)cccc2)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.31810588
LogD (pH = 7.4)
1.5315316
Log P
3.2547188
Molar Refractivity
71.3184
Polarizability
29.358128
Polar Surface Area
35.25
Rotatable Bonds
5
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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