1-(4-morpholin-4-ylsulfonylphenyl)-3-[1-(4-nitrophenyl)ethenylamino]thiourea

Formula:C19H21N5O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-(4-morpholin-4-ylsulfonylphenyl)-3-[1-(4-nitrophenyl)ethenylamino]thiourea is a drug-like molecule.

MolName	1-(4-morpholin-4-ylsulfonylphenyl)-3-[1-(4-nitrophenyl)ethenylamino]thiourea
MolecularFormula	C19H21N5O5S2
Smiles	C=C(c(cc1)ccc1[N+]([O-])=O)NNC(Nc(cc1)ccc1S(N1CCOCC1)(=O)=O)=S
InChI	InChI=1S/C19H21N5O5S2/c1-14(15-2-6-17(7-3-15)24(25)26)21-22-19(30)20-16-4-8-18(9-5-16)31(27,28)23-10-12-29-13-11-23/h2-9,21H,1,10-13H2,(H2,20,22,30)
InChIK	FKIIQRFCMXJWAD-UHFFFAOYSA-N
TotalMolweight	463.538
Molweight	463.538
MonoisotopicMass	463.09841
CLogP	0.6421
CLogS	-3.901
H Acceptors	10
H Donors	3
TotalSurfaceArea	336.95
Relative PSA	0.40045
PolarSurfaceArea	168.99
Druglikeness	-9.4508
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; thio-amide/urea
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	7
Amides	1
AcidicOxygens	1
StereoCon

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