(E)-3-(1H-indazol-6-ylamino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C19H12N6O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1H-indazol-6-ylamino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(1H-indazol-6-ylamino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C19H12N6O2S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2[N+]([O-])=O)cs1)=C\Nc1cc([nH]nc2)c2cc1
InChI	InChI=1S/C19H12N6O2S/c20-8-14(9-21-15-4-1-13-10-22-24-17(13)7-15)19-23-18(11-28-19)12-2-5-16(6-3-12)25(26)27/h1-7,9-11,21H,(H,22,24)
InChIK	KPIAMORPPUHSAL-UHFFFAOYSA-N
TotalMolweight	388.41
Molweight	388.41
MonoisotopicMass	388.074244
CLogP	1.3725
CLogS	-4.917
H Acceptors	8
H Donors	2
TotalSurfaceArea	291.96
Relative PSA	0.38269
PolarSurfaceArea	151.45
Druglikeness	-4.7719
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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