(9Z)-2,4,7-trinitro-9-[(4-nitrophenyl)methylidene]fluorene

Formula:C20H10N4O8 Mutagenic:high Tumorigenic:high Reproductive Effective:high (9Z)-2,4,7-trinitro-9-[(4-nitrophenyl)methylidene]fluorene is not a drug-like molecule.

MolName	(9Z)-2,4,7-trinitro-9-[(4-nitrophenyl)methylidene]fluorene
MolecularFormula	C20H10N4O8
Smiles	[O-][N+](c1ccc(/C=C2\c3cc([N+]([O-])=O)cc([N+]([O-])=O)c3-c(cc3)c2cc3[N+]([O-])=O)cc1)=O
InChI	InChI=1S/C20H10N4O8/c25-21(26)12-3-1-11(2-4-12)7-16-17-8-13(22(27)28)5-6-15(17)20-18(16)9-14(23(29)30)10-19(20)24(31)32/h1-10H
InChIK	BALQLWQVHHNXPW-UHFFFAOYSA-N
TotalMolweight	434.319
Molweight	434.319
MonoisotopicMass	434.049866
CLogP	1.6145
CLogS	-7.797
H Acceptors	12
TotalSurfaceArea	298.67
Relative PSA	0.40741
PolarSurfaceArea	183.28
Druglikeness	-6.0594
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.40625
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	4
StereoCon

Click to Load Molecule:

1 - (9Z)-2,4,7-trinitro-9-[(4-nitrophenyl)methylidene]fluorene | 2 - (9Z)-2,4,7-trinitro-9-[(4-nitrophenyl)methylidene]fluorene

Request More Details | (9Z)-2,4,7-trinitro-9-[(4-nitrophenyl)methylidene]fluorene

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments