(Z)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide

Formula:C19H12N2O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName(Z)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide
MolecularFormulaC19H12N2O3Cl2
SmilesN#C/C(/C(NCc1ccco1)=O)=C/c1ccc(-c(ccc(Cl)c2)c2Cl)o1
InChIInChI=1S/C19H12Cl2N2O3/c20-13-3-5-16(17(21)9-13)18-6-4-14(26-18)8-12(10-22)19(24)23-11-15-2-1-7-25-15/h1-9H,11H2,(H,23,24)
InChIKTYRNFFPYGJBPIW-UHFFFAOYSA-N
TotalMolweight387.221
Molweight387.221
MonoisotopicMass386.022497
CLogP4.0373
CLogS-6.2
H Acceptors5
H Donors1
TotalSurfaceArea292.39
Relative PSA0.22668
PolarSurfaceArea79.17
Druglikeness-0.58269
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.61538
Fragments1
Non HAtoms26
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms1
Amides1
StereoCon

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