[2-(2,4-dichlorophenyl)-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Formula:C27H19NO4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2,4-dichlorophenyl)-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is not a drug-like molecule.

MolName	[2-(2,4-dichlorophenyl)-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
MolecularFormula	C27H19NO4Cl2
Smiles	O=C(COC(c1c(CCC/C2=C\c3ccco3)c2nc2ccccc12)=O)c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C27H19Cl2NO4/c28-17-10-11-19(22(29)14-17)24(31)15-34-27(32)25-20-7-1-2-9-23(20)30-26-16(5-3-8-21(25)26)13-18-6-4-12-33-18/h1-2,4,6-7,9-14H,3,5,8,15H2
InChIK	BGLMQKFSHBAJCV-UHFFFAOYSA-N
TotalMolweight	492.357
Molweight	492.357
MonoisotopicMass	491.069113
CLogP	5.9568
CLogS	-7.711
H Acceptors	5
TotalSurfaceArea	358.42
Relative PSA	0.17064
PolarSurfaceArea	69.4
Druglikeness	-0.97374
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Aromatic Nitrogens	1
StereoCon

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