N-[(E)-3-(benzylamino)-1-[5-(2-chlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C27H21N2O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-3-(benzylamino)-1-[5-(2-chlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-3-(benzylamino)-1-[5-(2-chlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C27H21N2O3Cl
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1ccc(-c(cccc2)c2Cl)o1)NCc1ccccc1
InChI	InChI=1S/C27H21ClN2O3/c28-23-14-8-7-13-22(23)25-16-15-21(33-25)17-24(30-26(31)20-11-5-2-6-12-20)27(32)29-18-19-9-3-1-4-10-19/h1-17H,18H2,(H,29,32)(H,30,31)
InChIK	HTERETPSDJMNCA-UHFFFAOYSA-N
TotalMolweight	456.928
Molweight	456.928
MonoisotopicMass	456.12407
CLogP	5.6781
CLogS	-6.885
H Acceptors	5
H Donors	2
TotalSurfaceArea	354.54
Relative PSA	0.17801
PolarSurfaceArea	71.34
Druglikeness	4.3783
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	4
Amides	2
StereoCon

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