4-(2-hydroxy-5-nitroanilino)quinazoline-7-carboxylic acid

Formula:C15H10N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(2-hydroxy-5-nitroanilino)quinazoline-7-carboxylic acid is a drug-like molecule.

MolName	4-(2-hydroxy-5-nitroanilino)quinazoline-7-carboxylic acid
MolecularFormula	C15H10N4O5
Smiles	[O-][N+](c(cc1)cc(Nc2ncnc3cc(C(O)=O)ccc23)c1O)=O
InChI	InChI=1S/C15H10N4O5/c20-13-4-2-9(19(23)24)6-12(13)18-14-10-3-1-8(15(21)22)5-11(10)16-7-17-14/h1-7,20H,(H,21,22)(H,16,17,18)
InChIK	ZRRHKLNZUVJVRT-UHFFFAOYSA-N
TotalMolweight	326.267
Molweight	326.267
MonoisotopicMass	326.065121
CLogP	1.5129
CLogS	-4.393
H Acceptors	9
H Donors	3
TotalSurfaceArea	230.72
Relative PSA	0.44669
PolarSurfaceArea	141.16
Druglikeness	-5.9826
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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