[(E)-[7-chloro-1-(2-chloro-4-nitrobenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate

Formula:C16H11N3O7Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high [(E)-[7-chloro-1-(2-chloro-4-nitrobenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate is a drug-like molecule.

MolName	[(E)-[7-chloro-1-(2-chloro-4-nitrobenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
MolecularFormula	C16H11N3O7Cl2S
Smiles	[O-][N+](c(cc1)cc(Cl)c1C(N(CC1)c(cc(cc2)Cl)c2/C1=N/OS(O)(=O)=O)=O)=O
InChI	InChI=1S/C16H11Cl2N3O7S/c17-9-1-3-12-14(19-28-29(25,26)27)5-6-20(15(12)7-9)16(22)11-4-2-10(21(23)24)8-13(11)18/h1-4,7-8H,5-6H2,(H,25,26,27)
InChIK	VTJSUSAIUOAZBW-UHFFFAOYSA-N
TotalMolweight	460.249
Molweight	460.249
MonoisotopicMass	458.969476
CLogP	2.9846
CLogS	-4.994
H Acceptors	10
H Donors	1
TotalSurfaceArea	297.5
Relative PSA	0.37042
PolarSurfaceArea	150.47
Druglikeness	-1.6246
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	1
Amides	1
AcidicOxygens	2
StereoCon

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1 - [(E)-[7-chloro-1-(2-chloro-4-nitrobenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate | 2 - [(E)-[7-chloro-1-(2-chloro-4-nitrobenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate

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