N-[(E)-3-(furan-2-ylmethylamino)-1-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C30H23N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(furan-2-ylmethylamino)-1-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-3-(furan-2-ylmethylamino)-1-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C30H23N5O5
Smiles	[O-][N+](c(cc1)ccc1-c(c(/C=C(\C(NCc1ccco1)=O)/NC(c1ccccc1)=O)c1)nn1-c1ccccc1)=O
InChI	InChI=1S/C30H23N5O5/c36-29(22-8-3-1-4-9-22)32-27(30(37)31-19-26-12-7-17-40-26)18-23-20-34(24-10-5-2-6-11-24)33-28(23)21-13-15-25(16-14-21)35(38)39/h1-18,20H,19H2,(H,31,37)(H,32,36)
InChIK	MABVVIZVKLVETH-UHFFFAOYSA-N
TotalMolweight	533.543
Molweight	533.543
MonoisotopicMass	533.16992
CLogP	3.3193
CLogS	-6.344
H Acceptors	10
H Donors	2
TotalSurfaceArea	410.51
Relative PSA	0.2713
PolarSurfaceArea	134.98
Druglikeness	0.34353
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.4
Fragments	1
Non HAtoms	40
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	2
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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