N-[(E)-(6-methylidenespiro[4.5]decan-10-ylidene)amino]-2,4-dinitroaniline

Formula:C17H20N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-(6-methylidenespiro[4.5]decan-10-ylidene)amino]-2,4-dinitroaniline is a drug-like molecule.

MolName	N-[(E)-(6-methylidenespiro[4.5]decan-10-ylidene)amino]-2,4-dinitroaniline
MolecularFormula	C17H20N4O4
Smiles	C=C(CCC1)C2(CCCC2)/C1=N/Nc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O
InChI	InChI=1S/C17H20N4O4/c1-12-5-4-6-16(17(12)9-2-3-10-17)19-18-14-8-7-13(20(22)23)11-15(14)21(24)25/h7-8,11,18H,1-6,9-10H2
InChIK	MAFDAQMXTRVVSO-UHFFFAOYSA-N
TotalMolweight	344.37
Molweight	344.37
MonoisotopicMass	344.148456
CLogP	3.9831
CLogS	-4.957
H Acceptors	8
H Donors	1
TotalSurfaceArea	257.51
Relative PSA	0.32546
PolarSurfaceArea	116.03
Druglikeness	-9.2474
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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