(3E)-3-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-5-(4-chlorophenyl)furan-2-one

Formula:C21H18NO2Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (3E)-3-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-5-(4-chlorophenyl)furan-2-one is not a drug-like molecule.

MolName	(3E)-3-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-5-(4-chlorophenyl)furan-2-one
MolecularFormula	C21H18NO2Cl3
Smiles	O=C1OC(c(cc2)ccc2Cl)=C/C1=C\c(cc1)ccc1N(CCCl)CCCl
InChI	InChI=1S/C21H18Cl3NO2/c22-9-11-25(12-10-23)19-7-1-15(2-8-19)13-17-14-20(27-21(17)26)16-3-5-18(24)6-4-16/h1-8,13-14H,9-12H2
InChIK	UCFKNLGXMYXTGE-UHFFFAOYSA-N
TotalMolweight	422.738
Molweight	422.738
MonoisotopicMass	421.04031
CLogP	5.1968
CLogS	-5.851
H Acceptors	3
TotalSurfaceArea	308.29
Relative PSA	0.08625
PolarSurfaceArea	29.54
Druglikeness	4.0408
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	7
Amines	1
Aromatic Amines	1
StereoCon

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