[2-(2-cyano-4-nitroanilino)-2-oxoethyl] (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate

Formula:C27H19N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2-cyano-4-nitroanilino)-2-oxoethyl] (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate
MolecularFormula	C27H19N5O5
Smiles	N#Cc(cc(cc1)[N+]([O-])=O)c1NC(COC(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)=O)=O
InChI	InChI=1S/C27H19N5O5/c28-16-21-15-23(32(35)36)12-13-24(21)29-25(33)18-37-26(34)14-11-20-17-31(22-9-5-2-6-10-22)30-27(20)19-7-3-1-4-8-19/h1-15,17H,18H2,(H,29,33)
InChIK	DNACBEJRZJNKPU-UHFFFAOYSA-N
TotalMolweight	493.478
Molweight	493.478
MonoisotopicMass	493.13862
CLogP	2.5272
CLogS	-6.147
H Acceptors	10
H Donors	1
TotalSurfaceArea	383.1
Relative PSA	0.28546
PolarSurfaceArea	142.83
Druglikeness	-6.7618
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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