Molecule

ID:19580

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇ClN₂O
Molecular Mass
276.76128
Exact Mass
276.10294085
Charge
0
InChI
InChI=1S/C15H17ClN2O/c1-18(12-6-3-2-4-7-12)10-11-19-15-13(16)8-5-9-14(15)17/h2-9H,10-11,17H2,1H3
InChIKey
ZKOAHEFZVUKQME-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccccc1)CCOc1c(N)cccc1Cl
Isomeric Smiles
c1(c(N)cccc1Cl)OCCN(c1ccccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.49046
LogD (pH = 7.4)
3.500331
Log P
3.500458
Molar Refractivity
80.544
Polarizability
30.287931
Polar Surface Area
38.49
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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