N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-cyanoacetamide

Formula:C14H9N3O2BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-cyanoacetamide is a drug-like molecule.

MolName	N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-cyanoacetamide
MolecularFormula	C14H9N3O2BrClS
Smiles	N#CCC(N/N=C\c(o1)cc(Br)c1Sc(cc1)ccc1Cl)=O
InChI	InChI=1S/C14H9BrClN3O2S/c15-12-7-10(8-18-19-13(20)5-6-17)21-14(12)22-11-3-1-9(16)2-4-11/h1-4,7-8H,5H2,(H,19,20)
InChIK	KBIHDOVKYVFLMN-UHFFFAOYSA-N
TotalMolweight	398.667
Molweight	398.667
MonoisotopicMass	396.928735
CLogP	3.8962
CLogS	-5.77
H Acceptors	5
H Donors	1
TotalSurfaceArea	263.69
Relative PSA	0.30782
PolarSurfaceArea	103.69
Druglikeness	-7.7965
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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