N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline

Formula:C17H10N4O5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline is not a drug-like molecule.

MolName	N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline
MolecularFormula	C17H10N4O5Cl2
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1)=O
InChI	InChI=1S/C17H10Cl2N4O5/c18-10-1-4-13(14(19)7-10)17-6-3-12(28-17)9-20-21-15-5-2-11(22(24)25)8-16(15)23(26)27/h1-9,21H
InChIK	BSIICXHGXSNQIU-UHFFFAOYSA-N
TotalMolweight	421.195
Molweight	421.195
MonoisotopicMass	420.002825
CLogP	5.1486
CLogS	-7.001
H Acceptors	9
H Donors	1
TotalSurfaceArea	296.87
Relative PSA	0.32984
PolarSurfaceArea	129.17
Druglikeness	-0.73772
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline | 2 - N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline

Request More Details | N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments