5-[(2Z)-2-[(5-bromothiophen-2-yl)methylidene]hydrazinyl]-4-chloro-2-phenylpyridazin-3-one

Formula:C15H10N4OBrClS Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-[(2Z)-2-[(5-bromothiophen-2-yl)methylidene]hydrazinyl]-4-chloro-2-phenylpyridazin-3-one is a drug-like molecule.

MolName	5-[(2Z)-2-[(5-bromothiophen-2-yl)methylidene]hydrazinyl]-4-chloro-2-phenylpyridazin-3-one
MolecularFormula	C15H10N4OBrClS
Smiles	O=C1N(c2ccccc2)N=CC(N/N=C\c(s2)ccc2Br)=C1Cl
InChI	InChI=1S/C15H10BrClN4OS/c16-13-7-6-11(23-13)8-18-20-12-9-19-21(15(22)14(12)17)10-4-2-1-3-5-10/h1-9,20H
InChIK	OCZKLHZIPIVKRK-UHFFFAOYSA-N
TotalMolweight	409.694
Molweight	409.694
MonoisotopicMass	407.944719
CLogP	4.3973
CLogS	-5.446
H Acceptors	5
H Donors	1
TotalSurfaceArea	261.46
Relative PSA	0.2732
PolarSurfaceArea	85.3
Druglikeness	1.2046
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; 2-halo-enone
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

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