(NZ)-N-[[3-[5-(4-nitrophenyl)furan-2-yl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine

Formula:C20H14N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (NZ)-N-[[3-[5-(4-nitrophenyl)furan-2-yl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine is a drug-like molecule.

MolName(NZ)-N-[[3-[5-(4-nitrophenyl)furan-2-yl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
MolecularFormulaC20H14N4O4
Smiles[O-][N+](c(cc1)ccc1-c1ccc(-c(c(/C=N\O)c2)nn2-c2ccccc2)o1)=O
InChIInChI=1S/C20H14N4O4/c25-21-12-15-13-23(16-4-2-1-3-5-16)22-20(15)19-11-10-18(28-19)14-6-8-17(9-7-14)24(26)27/h1-13,25H
InChIKOXTYYSJYZQSAOE-UHFFFAOYSA-N
TotalMolweight374.355
Molweight374.355
MonoisotopicMass374.101506
CLogP3.1876
CLogS-5.416
H Acceptors8
H Donors1
TotalSurfaceArea284.97
Relative PSA0.30523
PolarSurfaceArea109.37
Druglikeness-1.1545
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.57143
Fragments1
Non HAtoms28
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms2
Symmetricatoms4
Aromatic Nitrogens2
AcidicOxygens1
StereoCon

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