(E)-3-[3-[5-(4-nitrophenyl)furan-2-yl]-1-phenylpyrazol-4-yl]prop-2-enoate

Formula:C22H14N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-[5-(4-nitrophenyl)furan-2-yl]-1-phenylpyrazol-4-yl]prop-2-enoate is a drug-like molecule.

MolName	(E)-3-[3-[5-(4-nitrophenyl)furan-2-yl]-1-phenylpyrazol-4-yl]prop-2-enoate
MolecularFormula	C22H14N3O5
Smiles	[O-]C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1)=O
InChI	InChI=1S/C22H15N3O5/c26-21(27)13-8-16-14-24(17-4-2-1-3-5-17)23-22(16)20-12-11-19(30-20)15-6-9-18(10-7-15)25(28)29/h1-14H,(H,26,27)/p-1
InChIK	MHUGAIUUDQOZQI-UHFFFAOYSA-M
TotalMolweight	400.369
Molweight	400.369
MonoisotopicMass	400.093347
CLogP	0.3712
CLogS	-5.1
H Acceptors	8
TotalSurfaceArea	305.64
Relative PSA	0.29345
PolarSurfaceArea	116.91
Druglikeness	-0.93833
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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