[(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] 4-nitrobenzoate

Formula:C16H11N5O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] 4-nitrobenzoate is a drug-like molecule.

MolName	[(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] 4-nitrobenzoate
MolecularFormula	C16H11N5O4S
Smiles	N/C(/c(cc1)ccc1-c1csnn1)=N/OC(c(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C16H11N5O4S/c17-15(11-3-1-10(2-4-11)14-9-26-20-18-14)19-25-16(22)12-5-7-13(8-6-12)21(23)24/h1-9H,(H2,17,19)
InChIK	YAOCTHMUFARFFA-UHFFFAOYSA-N
TotalMolweight	369.36
Molweight	369.36
MonoisotopicMass	369.053175
CLogP	2.8315
CLogS	-5.411
H Acceptors	9
H Donors	1
TotalSurfaceArea	269.15
Relative PSA	0.45529
PolarSurfaceArea	164.52
Druglikeness	-10.892
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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