N,4-bis[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-1,2,4-triazol-3-amine

Formula:C24H26N10O6 Mutagenic:none Tumorigenic:none Reproductive Effective:low N,4-bis[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-1,2,4-triazol-3-amine is not a drug-like molecule.

MolName	N,4-bis[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-1,2,4-triazol-3-amine
MolecularFormula	C24H26N10O6
Smiles	[O-][N+](c(cc(/C=N\Nc1nncn1/N=C\c(cc1)cc([N+]([O-])=O)c1N1CCOCC1)cc1)c1N1CCOCC1)=O
InChI	InChI=1S/C24H26N10O6/c35-33(36)22-13-18(1-3-20(22)30-5-9-39-10-6-30)15-25-28-24-29-26-17-32(24)27-16-19-2-4-21(23(14-19)34(37)38)31-7-11-40-12-8-31/h1-4,13-17H,5-12H2,(H,28,29)
InChIK	RIJVYAAKKBEJKV-UHFFFAOYSA-N
TotalMolweight	550.534
Molweight	550.534
MonoisotopicMass	550.20368
CLogP	2.3704
CLogS	-7.24
H Acceptors	16
H Donors	1
TotalSurfaceArea	411.5
Relative PSA	0.36751
PolarSurfaceArea	184.04
Druglikeness	-0.23514
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.575
Fragments	1
Non HAtoms	40
NonCHAtoms	16
Electronegative Atoms	16
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	14
Symmetricatoms	4
Amines	2
Aromatic Amines	2
Aromatic Nitrogens	3
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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