N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,4-dinitroaniline

Formula:C16H14N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,4-dinitroaniline is a drug-like molecule.

MolName	N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,4-dinitroaniline
MolecularFormula	C16H14N4O4
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\CCC1)/c2c1cccc2)=O
InChI	InChI=1S/C16H14N4O4/c21-19(22)12-8-9-15(16(10-12)20(23)24)18-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,18H,3,5,7H2
InChIK	CZTQUALVXAKOOI-UHFFFAOYSA-N
TotalMolweight	326.311
Molweight	326.311
MonoisotopicMass	326.101506
CLogP	3.6704
CLogS	-5.018
H Acceptors	8
H Donors	1
TotalSurfaceArea	242.57
Relative PSA	0.34551
PolarSurfaceArea	116.03
Druglikeness	-6.8932
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,4-dinitroaniline | 2 - N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,4-dinitroaniline

Request More Details | N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,4-dinitroaniline

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments