2,4-dinitro-N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]aniline

Formula:C22H16N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,4-dinitro-N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]aniline is not a drug-like molecule.

MolName	2,4-dinitro-N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]aniline
MolecularFormula	C22H16N6O6
Smiles	[O-][N+](c1ccc(Cn2c(cccc3)c3c(/C=N\Nc(ccc([N+]([O-])=O)c3)c3[N+]([O-])=O)c2)cc1)=O
InChI	InChI=1S/C22H16N6O6/c29-26(30)17-7-5-15(6-8-17)13-25-14-16(19-3-1-2-4-21(19)25)12-23-24-20-10-9-18(27(31)32)11-22(20)28(33)34/h1-12,14,24H,13H2
InChIK	SZJHDQHINNGBTL-UHFFFAOYSA-N
TotalMolweight	460.405
Molweight	460.405
MonoisotopicMass	460.113134
CLogP	3.6058
CLogS	-5.507
H Acceptors	12
H Donors	1
TotalSurfaceArea	337.57
Relative PSA	0.35874
PolarSurfaceArea	166.78
Druglikeness	-0.97103
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	3
StereoCon

Click to Load Molecule:

1 - 2,4-dinitro-N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]aniline | 2 - 2,4-dinitro-N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]aniline

Request More Details | 2,4-dinitro-N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]aniline

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments