(E)-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C24H13N5O4S Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C24H13N5O4S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\c1c(-c2cc([N+]([O-])=O)ccc2)[nH]nc1
InChI	InChI=1S/C24H13N5O4S/c25-11-16(8-17-12-26-28-22(17)15-5-3-6-18(9-15)29(31)32)23-27-20(13-34-23)19-10-14-4-1-2-7-21(14)33-24(19)30/h1-10,12-13H,(H,26,28)
InChIK	AQVCGVOLORZTLV-UHFFFAOYSA-N
TotalMolweight	467.464
Molweight	467.464
MonoisotopicMass	467.068825
CLogP	2.0319
CLogS	-5.205
H Acceptors	9
H Donors	1
TotalSurfaceArea	344.62
Relative PSA	0.35781
PolarSurfaceArea	165.72
Druglikeness	-4.4611
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - (E)-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

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