1-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-phenylthiourea

Formula:C23H19N4FS Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-phenylthiourea is not a drug-like molecule.

MolName	1-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-phenylthiourea
MolecularFormula	C23H19N4FS
Smiles	Fc1ccc(Cn2c(cccc3)c3c(/C=N\NC(Nc3ccccc3)=S)c2)cc1
InChI	InChI=1S/C23H19FN4S/c24-19-12-10-17(11-13-19)15-28-16-18(21-8-4-5-9-22(21)28)14-25-27-23(29)26-20-6-2-1-3-7-20/h1-14,16H,15H2,(H2,26,27,29)
InChIK	DDZHNVHZUYNBKC-UHFFFAOYSA-N
TotalMolweight	402.496
Molweight	402.496
MonoisotopicMass	402.131444
CLogP	5.2227
CLogS	-5.613
H Acceptors	4
H Donors	2
TotalSurfaceArea	317.08
Relative PSA	0.21856
PolarSurfaceArea	73.44
Druglikeness	2.9346
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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