(4E)-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

Formula:C25H23N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is a drug-like molecule.

MolName	(4E)-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
MolecularFormula	C25H23N3O5
Smiles	[O-][N+](c(cc(/C=C1/c2nc3ccccc3c(C(O)=O)c2CCC1)cc1)c1N1CCOCC1)=O
InChI	InChI=1S/C25H23N3O5/c29-25(30)23-18-5-1-2-7-20(18)26-24-17(4-3-6-19(23)24)14-16-8-9-21(22(15-16)28(31)32)27-10-12-33-13-11-27/h1-2,5,7-9,14-15H,3-4,6,10-13H2,(H,29,30)
InChIK	KBHBPOSLNAYQPA-UHFFFAOYSA-N
TotalMolweight	445.474
Molweight	445.474
MonoisotopicMass	445.163772
CLogP	2.9157
CLogS	-5.376
H Acceptors	8
H Donors	1
TotalSurfaceArea	328.48
Relative PSA	0.24683
PolarSurfaceArea	108.48
Druglikeness	-6.2141
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	11
Symmetricatoms	2
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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