(4Z)-N-(1,3-benzodioxol-5-yl)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxamide

Formula:C28H22N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-N-(1,3-benzodioxol-5-yl)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxamide is not a drug-like molecule.

MolName	(4Z)-N-(1,3-benzodioxol-5-yl)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxamide
MolecularFormula	C28H22N2O3
Smiles	O=C(c1c(CCC/C2=C/c3ccccc3)c2nc2ccccc12)Nc(cc1)cc2c1OCO2
InChI	InChI=1S/C28H22N2O3/c31-28(29-20-13-14-24-25(16-20)33-17-32-24)26-21-10-4-5-12-23(21)30-27-19(9-6-11-22(26)27)15-18-7-2-1-3-8-18/h1-5,7-8,10,12-16H,6,9,11,17H2,(H,29,31)
InChIK	BXPLEECTUPAVGS-UHFFFAOYSA-N
TotalMolweight	434.494
Molweight	434.494
MonoisotopicMass	434.163043
CLogP	5.9421
CLogS	-7.023
H Acceptors	5
H Donors	1
TotalSurfaceArea	328.1
Relative PSA	0.16906
PolarSurfaceArea	60.45
Druglikeness	-1.3882
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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