Molecule

ID:33511

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O
Molecular Mass
224.68672
Exact Mass
224.07164073
Charge
0
InChI
InChI=1S/C11H13ClN2O/c12-10-9(5-4-6-13-10)11(15)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2
InChIKey
PHTPEDJMJRDQMY-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1Cl)N1CCCCC1
Isomeric Smiles
C(=O)(c1c(nccc1)Cl)N1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7281525
LogD (pH = 7.4)
1.7281538
Log P
1.7281538
Molar Refractivity
60.781
Polarizability
22.714157
Polar Surface Area
33.2
Rotatable Bonds
1
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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