N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide

Formula:C24H21N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide is a drug-like molecule.

MolName	N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
MolecularFormula	C24H21N3O5
Smiles	CCOc(ccc(C(Nc1cc(-c2nc(cc(C)c(C)c3)c3o2)ccc1)=O)c1)c1[N+]([O-])=O
InChI	InChI=1S/C24H21N3O5/c1-4-31-21-9-8-16(13-20(21)27(29)30)23(28)25-18-7-5-6-17(12-18)24-26-19-10-14(2)15(3)11-22(19)32-24/h5-13H,4H2,1-3H3,(H,25,28)
InChIK	POCAKTJRHNEXLO-UHFFFAOYSA-N
TotalMolweight	431.447
Molweight	431.447
MonoisotopicMass	431.148122
CLogP	4.5644
CLogS	-7.584
H Acceptors	8
H Donors	1
TotalSurfaceArea	329.25
Relative PSA	0.27335
PolarSurfaceArea	110.18
Druglikeness	-5.5203
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	6
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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