2,4-dinitro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline

Formula:C15H12N8O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,4-dinitro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline is not a drug-like molecule.

MolName	2,4-dinitro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline
MolecularFormula	C15H12N8O4
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\Cc1nnnn1-c1ccccc1)=O
InChI	InChI=1S/C15H12N8O4/c24-22(25)12-6-7-13(14(10-12)23(26)27)17-16-9-8-15-18-19-20-21(15)11-4-2-1-3-5-11/h1-7,9-10,17H,8H2
InChIK	TYOOADUTIROREY-UHFFFAOYSA-N
TotalMolweight	368.312
Molweight	368.312
MonoisotopicMass	368.098152
CLogP	1.473
CLogS	-3.539
H Acceptors	12
H Donors	1
TotalSurfaceArea	275.58
Relative PSA	0.44847
PolarSurfaceArea	159.63
Druglikeness	-3.5489
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 2,4-dinitro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline | 2 - 2,4-dinitro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline

Request More Details | 2,4-dinitro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments