2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide

Formula:C20H25N4O2Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
MolecularFormula	C20H25N4O2Cl
Smiles	O=C(C[NH+]1CC[NH+](Cc(cccc2)c2Cl)CC1)N/N=C\C=C\c1ccco1
InChI	InChI=1S/C20H23ClN4O2/c21-19-8-2-1-5-17(19)15-24-10-12-25(13-11-24)16-20(26)23-22-9-3-6-18-7-4-14-27-18/h1-9,14H,10-13,15-16H2,(H,23,26)/p+2
InChIK	FAIPPBJHVWAHBS-UHFFFAOYSA-P
TotalMolweight	388.898
Molweight	388.898
MonoisotopicMass	388.166603
CLogP	-1.8586
CLogS	-3.276
H Acceptors	6
H Donors	3
TotalSurfaceArea	336.34
Relative PSA	0.25361
PolarSurfaceArea	63.48
Druglikeness	4.01
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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