4-chloro-N-[5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C16H12N5O3ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-chloro-N-[5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide is a drug-like molecule.

MolName	4-chloro-N-[5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C16H12N5O3ClS
Smiles	O=C(Cc1nnc(NC(c(cc2)ccc2Cl)=O)s1)N/N=C\c1ccco1
InChI	InChI=1S/C16H12ClN5O3S/c17-11-5-3-10(4-6-11)15(24)19-16-22-21-14(26-16)8-13(23)20-18-9-12-2-1-7-25-12/h1-7,9H,8H2,(H,20,23)(H,19,22,24)
InChIK	IRBNDIXZEGKYNC-UHFFFAOYSA-N
TotalMolweight	389.822
Molweight	389.822
MonoisotopicMass	389.034937
CLogP	2.9849
CLogS	-4.823
H Acceptors	8
H Donors	2
TotalSurfaceArea	288.29
Relative PSA	0.40556
PolarSurfaceArea	137.72
Druglikeness	6.4721
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - 4-chloro-N-[5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide | 2 - 4-chloro-N-[5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide

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