(Z)-N-(2,5-dichlorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide

Formula:C19H12N2O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (Z)-N-(2,5-dichlorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide is a drug-like molecule.

MolName(Z)-N-(2,5-dichlorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
MolecularFormulaC19H12N2O4Cl2
Smiles[O-][N+](c(cccc1)c1-c1ccc(/C=C\C(Nc(cc(cc2)Cl)c2Cl)=O)o1)=O
InChIInChI=1S/C19H12Cl2N2O4/c20-12-5-8-15(21)16(11-12)22-19(24)10-7-13-6-9-18(27-13)14-3-1-2-4-17(14)23(25)26/h1-11H,(H,22,24)
InChIKLQOQYOSYZNXSGY-UHFFFAOYSA-N
TotalMolweight403.22
Molweight403.22
MonoisotopicMass402.017412
CLogP4.3656
CLogS-6.89
H Acceptors6
H Donors1
TotalSurfaceArea292.69
Relative PSA0.23585
PolarSurfaceArea88.06
Druglikeness-3.9291
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantlow
Nasty Functionsaromatic nitro
Shape Index0.55556
Fragments1
Non HAtoms27
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms1
Amides1
AcidicOxygens1
StereoCon

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