(Z)-4-[4-(6-nitro-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobut-2-enoic acid

Formula:C22H19N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-[4-(6-nitro-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(Z)-4-[4-(6-nitro-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobut-2-enoic acid
MolecularFormula	C22H19N5O5
Smiles	[O-][N+](c1cc2c(-c3ccccc3)nc(N(CC3)CCN3C(/C=C\C(O)=O)=O)nc2cc1)=O
InChI	InChI=1S/C22H19N5O5/c28-19(8-9-20(29)30)25-10-12-26(13-11-25)22-23-18-7-6-16(27(31)32)14-17(18)21(24-22)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,29,30)
InChIK	GUCZGLVJRGNSJU-UHFFFAOYSA-N
TotalMolweight	433.423
Molweight	433.423
MonoisotopicMass	433.13862
CLogP	1.8268
CLogS	-4.296
H Acceptors	10
H Donors	1
TotalSurfaceArea	319.3
Relative PSA	0.30893
PolarSurfaceArea	132.45
Druglikeness	1.3219
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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