[(Z)-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methylideneamino]thiourea

Formula:C14H13N6BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methylideneamino]thiourea is a drug-like molecule.

MolName	[(Z)-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methylideneamino]thiourea
MolecularFormula	C14H13N6BrS
Smiles	NC(N/N=C\c1cn(CCC#N)nc1-c(cc1)ccc1Br)=S
InChI	InChI=1S/C14H13BrN6S/c15-12-4-2-10(3-5-12)13-11(8-18-19-14(17)22)9-21(20-13)7-1-6-16/h2-5,8-9H,1,7H2,(H3,17,19,22)
InChIK	WYHUOAPUTIIPIK-UHFFFAOYSA-N
TotalMolweight	377.269
Molweight	377.269
MonoisotopicMass	376.010575
CLogP	2.0257
CLogS	-4.7
H Acceptors	6
H Donors	2
TotalSurfaceArea	266.29
Relative PSA	0.36667
PolarSurfaceArea	124.11
Druglikeness	-4.2268
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.54545
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	3
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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