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

Formula:C21H15N4O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[(2-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]-2,4-dinitroaniline is a drug-like molecule.

MolName	N-[(E)-[(2-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]-2,4-dinitroaniline
MolecularFormula	C21H15N4O6Br
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\c(cc1)cc2c1OCCO2)/c(cccc1)c1Br)=O
InChI	InChI=1S/C21H15BrN4O6/c22-16-4-2-1-3-15(16)21(13-5-8-19-20(11-13)32-10-9-31-19)24-23-17-7-6-14(25(27)28)12-18(17)26(29)30/h1-8,11-12,23H,9-10H2
InChIK	YMLGSFLPTSENKO-UHFFFAOYSA-N
TotalMolweight	499.276
Molweight	499.276
MonoisotopicMass	498.017497
CLogP	4.8984
CLogS	-6.861
H Acceptors	10
H Donors	1
TotalSurfaceArea	327.2
Relative PSA	0.31727
PolarSurfaceArea	134.49
Druglikeness	-13.125
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
AcidicOxygens	2
StereoCon

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

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