N-[(Z)-[2,3-dihydro-1,4-benzodioxin-6-yl(phenyl)methylidene]amino]-2,4-dinitroaniline

Formula:C21H16N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[2,3-dihydro-1,4-benzodioxin-6-yl(phenyl)methylidene]amino]-2,4-dinitroaniline is a drug-like molecule.

MolName	N-[(Z)-[2,3-dihydro-1,4-benzodioxin-6-yl(phenyl)methylidene]amino]-2,4-dinitroaniline
MolecularFormula	C21H16N4O6
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/c1ccccc1)\c(cc1)cc2c1OCCO2)=O
InChI	InChI=1S/C21H16N4O6/c26-24(27)16-7-8-17(18(13-16)25(28)29)22-23-21(14-4-2-1-3-5-14)15-6-9-19-20(12-15)31-11-10-30-19/h1-9,12-13,22H,10-11H2
InChIK	RSQOTFQJPABPJL-UHFFFAOYSA-N
TotalMolweight	420.38
Molweight	420.38
MonoisotopicMass	420.106986
CLogP	4.1732
CLogS	-6.027
H Acceptors	10
H Donors	1
TotalSurfaceArea	308.57
Relative PSA	0.33642
PolarSurfaceArea	134.49
Druglikeness	-11.335
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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1 - N-[(Z)-[2,3-dihydro-1,4-benzodioxin-6-yl(phenyl)methylidene]amino]-2,4-dinitroaniline | 2 - N-[(Z)-[2,3-dihydro-1,4-benzodioxin-6-yl(phenyl)methylidene]amino]-2,4-dinitroaniline

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