(2Z)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-3H-inden-1-one

Formula:C20H19NOCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (2Z)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-3H-inden-1-one is a drug-like molecule.

MolName	(2Z)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-3H-inden-1-one
MolecularFormula	C20H19NOCl2
Smiles	O=C(/C(/C1)=C\c(cc2)ccc2N(CCCl)CCCl)c2c1cccc2
InChI	InChI=1S/C20H19Cl2NO/c21-9-11-23(12-10-22)18-7-5-15(6-8-18)13-17-14-16-3-1-2-4-19(16)20(17)24/h1-8,13H,9-12,14H2
InChIK	OFCPLHXQQSYAIL-UHFFFAOYSA-N
TotalMolweight	360.283
Molweight	360.283
MonoisotopicMass	359.084368
CLogP	4.8384
CLogS	-5.451
H Acceptors	2
TotalSurfaceArea	271.92
Relative PSA	0.061011
PolarSurfaceArea	20.31
Druglikeness	4.8616
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	5
Amines	1
Aromatic Amines	1
StereoCon

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