Molecule

ID:126641

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O₂
Molecular Mass
284.78174
Exact Mass
284.1291556
Charge
0
InChI
InChI=1S/C14H21ClN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11,16H2,1H3
InChIKey
XXPVSQRPGBUFKM-UHFFFAOYSA-N
Canonic Smiles
COCCCC/C(=N/OCCN)/c1ccc(cc1)Cl
Isomeric Smiles
COCCCC/C(=N/OCCN)/c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.4203318
LogD (pH = 7.4)
0.77376765
Log P
2.5215158
Molar Refractivity
78.0282
Polarizability
30.552536
Polar Surface Area
56.84
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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