cyanomethyl (4E)-4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Formula:C23H16N2O2Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:high cyanomethyl (4E)-4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is not a drug-like molecule.

MolName	cyanomethyl (4E)-4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
MolecularFormula	C23H16N2O2Cl2
Smiles	N#CCOC(c1c(CCC/C2=C\c3cccc(Cl)c3Cl)c2nc2ccccc12)=O
InChI	InChI=1S/C23H16Cl2N2O2/c24-18-9-4-5-14(21(18)25)13-15-6-3-8-17-20(23(28)29-12-11-26)16-7-1-2-10-19(16)27-22(15)17/h1-2,4-5,7,9-10,13H,3,6,8,12H2
InChIK	HNGSVPPYOBZGDE-UHFFFAOYSA-N
TotalMolweight	423.298
Molweight	423.298
MonoisotopicMass	422.058882
CLogP	5.4601
CLogS	-6.861
H Acceptors	4
TotalSurfaceArea	312.93
Relative PSA	0.15201
PolarSurfaceArea	62.98
Druglikeness	-7.2084
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Aromatic Nitrogens	1
StereoCon

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