1-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-(4-fluorophenyl)thiourea

Formula:C23H17N5BrFS Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-(4-fluorophenyl)thiourea is not a drug-like molecule.

MolName	1-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-(4-fluorophenyl)thiourea
MolecularFormula	C23H17N5BrFS
Smiles	Fc(cc1)ccc1NC(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Br)=S
InChI	InChI=1S/C23H17BrFN5S/c24-18-8-6-16(7-9-18)22-17(15-30(29-22)21-4-2-1-3-5-21)14-26-28-23(31)27-20-12-10-19(25)11-13-20/h1-15H,(H2,27,28,31)
InChIK	MNBSLBSFFXUZLK-UHFFFAOYSA-N
TotalMolweight	494.391
Molweight	494.391
MonoisotopicMass	493.037204
CLogP	5.3372
CLogS	-6.982
H Acceptors	5
H Donors	2
TotalSurfaceArea	345.87
Relative PSA	0.23208
PolarSurfaceArea	86.33
Druglikeness	0.88125
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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