N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-5-(3-nitrophenyl)furan-2-carboxamide

Formula:C27H20N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-5-(3-nitrophenyl)furan-2-carboxamide is a drug-like molecule.

MolName	N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-5-(3-nitrophenyl)furan-2-carboxamide
MolecularFormula	C27H20N4O4
Smiles	[O-][N+](c1cc(-c2ccc(C(N/N=C\c3cn(Cc4ccccc4)c4c3cccc4)=O)o2)ccc1)=O
InChI	InChI=1S/C27H20N4O4/c32-27(26-14-13-25(35-26)20-9-6-10-22(15-20)31(33)34)29-28-16-21-18-30(17-19-7-2-1-3-8-19)24-12-5-4-11-23(21)24/h1-16,18H,17H2,(H,29,32)
InChIK	HSULVBHAOMRRDZ-UHFFFAOYSA-N
TotalMolweight	464.48
Molweight	464.48
MonoisotopicMass	464.148456
CLogP	4.7486
CLogS	-6.619
H Acceptors	8
H Donors	1
TotalSurfaceArea	357.43
Relative PSA	0.24455
PolarSurfaceArea	105.35
Druglikeness	2.0119
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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