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

Formula:C19H13N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E)-3-[(2-bromophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid is a drug-like molecule.

MolName	(3E)-3-[(2-bromophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
MolecularFormula	C19H13N2O3Br
Smiles	OC(c(cc1)cc(N=C2N3CC/C2=C\c(cccc2)c2Br)c1C3=O)=O
InChI	InChI=1S/C19H13BrN2O3/c20-15-4-2-1-3-11(15)9-12-7-8-22-17(12)21-16-10-13(19(24)25)5-6-14(16)18(22)23/h1-6,9-10H,7-8H2,(H,24,25)
InChIK	KFUPTKHCLQUXND-UHFFFAOYSA-N
TotalMolweight	397.227
Molweight	397.227
MonoisotopicMass	396.010954
CLogP	3.2044
CLogS	-4.3
H Acceptors	5
H Donors	1
TotalSurfaceArea	252
Relative PSA	0.21524
PolarSurfaceArea	69.97
Druglikeness	2.0078
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

Request More Details | (3E)-3-[(2-bromophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments