5-nitro-N-[(Z)-(1,2,5-triphenylpyrrol-3-yl)methylideneamino]pyridin-2-amine

Formula:C28H21N5O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-N-[(Z)-(1,2,5-triphenylpyrrol-3-yl)methylideneamino]pyridin-2-amine is not a drug-like molecule.

MolName	5-nitro-N-[(Z)-(1,2,5-triphenylpyrrol-3-yl)methylideneamino]pyridin-2-amine
MolecularFormula	C28H21N5O2
Smiles	[O-][N+](c(cc1)cnc1N/N=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1)=O
InChI	InChI=1S/C28H21N5O2/c34-33(35)25-16-17-27(29-20-25)31-30-19-23-18-26(21-10-4-1-5-11-21)32(24-14-8-3-9-15-24)28(23)22-12-6-2-7-13-22/h1-20H,(H,29,31)
InChIK	PNGBIGFDWPAJHE-UHFFFAOYSA-N
TotalMolweight	459.508
Molweight	459.508
MonoisotopicMass	459.169525
CLogP	6.9551
CLogS	-9.208
H Acceptors	7
H Donors	1
TotalSurfaceArea	360.15
Relative PSA	0.19778
PolarSurfaceArea	88.03
Druglikeness	-1.4124
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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