(3-chlorophenyl)methyl (4E)-4-[(4-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Formula:C28H21N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (3-chlorophenyl)methyl (4E)-4-[(4-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is not a drug-like molecule.

MolName	(3-chlorophenyl)methyl (4E)-4-[(4-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
MolecularFormula	C28H21N2O4Cl
Smiles	[O-][N+](c1ccc(/C=C2/c3nc4ccccc4c(C(OCc4cccc(Cl)c4)=O)c3CCC2)cc1)=O
InChI	InChI=1S/C28H21ClN2O4/c29-21-7-3-5-19(16-21)17-35-28(32)26-23-8-1-2-10-25(23)30-27-20(6-4-9-24(26)27)15-18-11-13-22(14-12-18)31(33)34/h1-3,5,7-8,10-16H,4,6,9,17H2
InChIK	HDRMWTFLHUZMPQ-UHFFFAOYSA-N
TotalMolweight	484.938
Molweight	484.938
MonoisotopicMass	484.118985
CLogP	5.6987
CLogS	-7.46
H Acceptors	6
TotalSurfaceArea	359.23
Relative PSA	0.17936
PolarSurfaceArea	85.01
Druglikeness	-7.9047
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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