Molecule

ID:35943

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁ClN₄O
Molecular Mass
308.80644
Exact Mass
308.14038899
Charge
0
InChI
InChI=1S/C15H21ClN4O/c16-13-4-5-14(18-17-13)19-10-6-12(7-11-19)15(21)20-8-2-1-3-9-20/h4-5,12H,1-3,6-11H2
InChIKey
NPBZDUYDQGLKND-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC1)C1CCN(CC1)c1ccc(nn1)Cl
Isomeric Smiles
c1cc(nnc1Cl)N1CCC(CC1)C(=O)N1CCCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8662183
LogD (pH = 7.4)
1.8664105
Log P
1.866413
Molar Refractivity
86.5121
Polarizability
31.662685
Polar Surface Area
49.33
Rotatable Bonds
2
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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