(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide

Formula:C24H17NO4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide
MolecularFormula	C24H17NO4Cl2
Smiles	OCc1ccc(-c(cc2)ccc2NC(/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)=O)o1
InChI	InChI=1S/C24H17Cl2NO4/c25-20-3-1-2-19(24(20)26)22-12-8-17(30-22)10-13-23(29)27-16-6-4-15(5-7-16)21-11-9-18(14-28)31-21/h1-13,28H,14H2,(H,27,29)
InChIK	XAEPBSIIYLZWOQ-UHFFFAOYSA-N
TotalMolweight	454.308
Molweight	454.308
MonoisotopicMass	453.053463
CLogP	5.6288
CLogS	-7.774
H Acceptors	5
H Donors	2
TotalSurfaceArea	338.58
Relative PSA	0.1944
PolarSurfaceArea	75.61
Druglikeness	0.84011
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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1 - (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide | 2 - (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide

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