[3-[[4-[(3-borono-5-nitrobenzoyl)amino]phenyl]carbamoyl]-5-nitrophenyl]boronic acid

Formula:C20H16N4O10B2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [3-[[4-[(3-borono-5-nitrobenzoyl)amino]phenyl]carbamoyl]-5-nitrophenyl]boronic acid is not a drug-like molecule.

MolName	[3-[[4-[(3-borono-5-nitrobenzoyl)amino]phenyl]carbamoyl]-5-nitrophenyl]boronic acid
MolecularFormula	C20H16N4O10B2
Smiles	[O-][N+](c1cc(B(O)O)cc(C(Nc(cc2)ccc2NC(c2cc(B(O)O)cc([N+]([O-])=O)c2)=O)=O)c1)=O
InChI	InChI=1S/C20H16B2N4O10/c27-19(11-5-13(21(29)30)9-17(7-11)25(33)34)23-15-1-2-16(4-3-15)24-20(28)12-6-14(22(31)32)10-18(8-12)26(35)36/h1-10,29-32H,(H,23,27)(H,24,28)
InChIK	JBHJLTFEEOIBFO-UHFFFAOYSA-N
TotalMolweight	493.987
Molweight	493.987
MonoisotopicMass	494.105256
CLogP	1.5582
CLogS	-0.118
H Acceptors	14
H Donors	6
TotalSurfaceArea	353.14
Relative PSA	0.45942
PolarSurfaceArea	230.76
Druglikeness	-15.406
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; unwanted atom
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	16
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	20
Amides	2
AcidicOxygens	2
StereoCon

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