N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2,4-dinitroaniline

Formula:C15H15N5O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2,4-dinitroaniline is a drug-like molecule.

MolName	N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2,4-dinitroaniline
MolecularFormula	C15H15N5O5S
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\c1ccc(N2CCOCC2)s1)=O
InChI	InChI=1S/C15H15N5O5S/c21-19(22)11-1-3-13(14(9-11)20(23)24)17-16-10-12-2-4-15(26-12)18-5-7-25-8-6-18/h1-4,9-10,17H,5-8H2
InChIK	FGSSBKVXSWDVAM-UHFFFAOYSA-N
TotalMolweight	377.38
Molweight	377.38
MonoisotopicMass	377.07939
CLogP	2.7229
CLogS	-4.332
H Acceptors	10
H Donors	1
TotalSurfaceArea	274.36
Relative PSA	0.42907
PolarSurfaceArea	156.74
Druglikeness	-0.50576
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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