N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]-2-(4-nitrophenyl)acetamide

Formula:C24H19N4O3I Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]-2-(4-nitrophenyl)acetamide is not a drug-like molecule.

MolName	N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]-2-(4-nitrophenyl)acetamide
MolecularFormula	C24H19N4O3I
Smiles	[O-][N+](c1ccc(CC(N/N=C\c2cn(Cc(cc3)ccc3I)c3c2cccc3)=O)cc1)=O
InChI	InChI=1S/C24H19IN4O3/c25-20-9-5-18(6-10-20)15-28-16-19(22-3-1-2-4-23(22)28)14-26-27-24(30)13-17-7-11-21(12-8-17)29(31)32/h1-12,14,16H,13,15H2,(H,27,30)
InChIK	KSTHXZDLNCLUCC-UHFFFAOYSA-N
TotalMolweight	538.34
Molweight	538.34
MonoisotopicMass	538.050189
CLogP	4.2449
CLogS	-6.14
H Acceptors	7
H Donors	1
TotalSurfaceArea	348.02
Relative PSA	0.21062
PolarSurfaceArea	92.21
Druglikeness	1.3617
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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