Molecule

ID:19577

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O₂
Molecular Mass
256.72858
Exact Mass
256.09785547
Charge
0
InChI
InChI=1S/C12H17ClN2O2/c13-10-2-1-3-11(14)12(10)17-9-6-15-4-7-16-8-5-15/h1-3H,4-9,14H2
InChIKey
IOWCPNPXCUTSCI-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1OCCN1CCOCC1)Cl
Isomeric Smiles
c1(c(N)cccc1Cl)OCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.9326179
LogD (pH = 7.4)
1.3807608
Log P
1.3908373
Molar Refractivity
69.12
Polarizability
26.588491
Polar Surface Area
47.72
Rotatable Bonds
4
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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