N-[(Z)-[4-bromo-2-[(4-chlorophenyl)methyl]pyrazol-3-yl]methylideneamino]-2-(2,5-dibromothiophen-3-yl)acetamide

Formula:C17H12N4OBr3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[4-bromo-2-[(4-chlorophenyl)methyl]pyrazol-3-yl]methylideneamino]-2-(2,5-dibromothiophen-3-yl)acetamide is not a drug-like molecule.

MolName	N-[(Z)-[4-bromo-2-[(4-chlorophenyl)methyl]pyrazol-3-yl]methylideneamino]-2-(2,5-dibromothiophen-3-yl)acetamide
MolecularFormula	C17H12N4OBr3ClS
Smiles	O=C(Cc(cc(s1)Br)c1Br)N/N=C\c(n(Cc(cc1)ccc1Cl)nc1)c1Br
InChI	InChI=1S/C17H12Br3ClN4OS/c18-13-7-23-25(9-10-1-3-12(21)4-2-10)14(13)8-22-24-16(26)6-11-5-15(19)27-17(11)20/h1-5,7-8H,6,9H2,(H,24,26)
InChIK	WBWCUOIAKWTAKM-UHFFFAOYSA-N
TotalMolweight	595.54
Molweight	595.54
MonoisotopicMass	591.797041
CLogP	5.6489
CLogS	-6.439
H Acceptors	5
H Donors	1
TotalSurfaceArea	329.48
Relative PSA	0.22523
PolarSurfaceArea	87.52
Druglikeness	1.3681
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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