4-[(2Z)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]benzoic acid

Formula:C12H9N2O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(2Z)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]benzoic acid is a drug-like molecule.

MolName	4-[(2Z)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]benzoic acid
MolecularFormula	C12H9N2O2BrS
Smiles	OC(c(cc1)ccc1N/N=C\c1cc(Br)cs1)=O
InChI	InChI=1S/C12H9BrN2O2S/c13-9-5-11(18-7-9)6-14-15-10-3-1-8(2-4-10)12(16)17/h1-7,15H,(H,16,17)
InChIK	UZUDFVMVQQIRSJ-UHFFFAOYSA-N
TotalMolweight	325.185
Molweight	325.185
MonoisotopicMass	323.956809
CLogP	4.9178
CLogS	-4.006
H Acceptors	4
H Donors	2
TotalSurfaceArea	207.91
Relative PSA	0.33413
PolarSurfaceArea	89.93
Druglikeness	-2.0481
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.72222
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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