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

Formula:C27H21N2O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2-chloroanilino)-2-oxoethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is not a drug-like molecule.

MolName	[2-(2-chloroanilino)-2-oxoethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
MolecularFormula	C27H21N2O3ClS
Smiles	O=C(COC(c1c(CCC/C2=C\c3cccs3)c2nc2ccccc12)=O)Nc(cccc1)c1Cl
InChI	InChI=1S/C27H21ClN2O3S/c28-21-11-2-4-13-23(21)29-24(31)16-33-27(32)25-19-9-1-3-12-22(19)30-26-17(7-5-10-20(25)26)15-18-8-6-14-34-18/h1-4,6,8-9,11-15H,5,7,10,16H2,(H,29,31)
InChIK	XJJDUKWIDMHGTI-UHFFFAOYSA-N
TotalMolweight	488.994
Molweight	488.994
MonoisotopicMass	488.09614
CLogP	5.8612
CLogS	-6.961
H Acceptors	5
H Donors	1
TotalSurfaceArea	360.71
Relative PSA	0.21865
PolarSurfaceArea	96.53
Druglikeness	1.5442
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
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
Amides	1
Aromatic Nitrogens	1
StereoCon

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