(3E)-3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid

Formula:C19H12N2O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E)-3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid is a drug-like molecule.

MolName	(3E)-3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
MolecularFormula	C19H12N2O3Cl2
Smiles	OC(c(cc1)cc(N=C2N3CC/C2=C\c(c(Cl)ccc2)c2Cl)c1C3=O)=O
InChI	InChI=1S/C19H12Cl2N2O3/c20-14-2-1-3-15(21)13(14)8-10-6-7-23-17(10)22-16-9-11(19(25)26)4-5-12(16)18(23)24/h1-5,8-9H,6-7H2,(H,25,26)
InChIK	SPTVKLAADLINBK-UHFFFAOYSA-N
TotalMolweight	387.221
Molweight	387.221
MonoisotopicMass	386.022497
CLogP	3.6912
CLogS	-4.938
H Acceptors	5
H Donors	1
TotalSurfaceArea	264.21
Relative PSA	0.20529
PolarSurfaceArea	69.97
Druglikeness	3.8542
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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