Molecule

ID:48535

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O
Molecular Mass
226.7026
Exact Mass
226.08729079
Charge
0
InChI
InChI=1S/C11H15ClN2O/c1-3-4-8-14(2)11(15)9-6-5-7-13-10(9)12/h5-7H,3-4,8H2,1-2H3
InChIKey
ZPYNRNVGGRDWDO-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1cccnc1Cl)CCCC
Isomeric Smiles
c1(C(=O)N(CCCC)C)c(nccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2016854
LogD (pH = 7.4)
2.2016866
Log P
2.2016866
Molar Refractivity
62.5126
Polarizability
23.432497
Polar Surface Area
33.2
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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