Molecule

ID:121218

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClN₂O
Molecular Mass
252.73988
Exact Mass
252.10294085
Charge
0
InChI
InChI=1S/C13H17ClN2O/c14-12-6-5-10(15)9-11(12)13(17)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,15H2
InChIKey
FXWYJKNOXQUFFK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(N)ccc1Cl)N1CCCCCC1
Isomeric Smiles
c1(C(=O)N2CCCCCC2)c(ccc(c1)N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3405244
LogD (pH = 7.4)
2.3412821
Log P
2.3412917
Molar Refractivity
71.178
Polarizability
26.501066
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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