(E)-N-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide

Formula:C19H14N2O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide is a drug-like molecule.

MolName(E)-N-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
MolecularFormulaC19H14N2O4
Smiles[O-][N+](c(cc1)ccc1NC(/C=C/c1ccc(-c2ccccc2)o1)=O)=O
InChIInChI=1S/C19H14N2O4/c22-19(20-15-6-8-16(9-7-15)21(23)24)13-11-17-10-12-18(25-17)14-4-2-1-3-5-14/h1-13H,(H,20,22)
InChIKHDDIFXWTUPFVNJ-UHFFFAOYSA-N
TotalMolweight334.33
Molweight334.33
MonoisotopicMass334.095358
CLogP3.1536
CLogS-5.418
H Acceptors6
H Donors1
TotalSurfaceArea261.85
Relative PSA0.26362
PolarSurfaceArea88.06
Druglikeness-4.0044
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.68
Fragments1
Non HAtoms25
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms1
Symmetricatoms4
Amides1
AcidicOxygens1
StereoCon

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