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C24H21N3O6 | Cheminformatics
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N-[(Z)-3-morpholin-4-yl-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide

Molecular Formula : C24H21N3O6 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
N-[(Z)-3-morpholin-4-yl-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName : N-[(Z)-3-morpholin-4-yl-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide

MolecularFormula : C24H21N3O6

Smiles : [O-][N+](c(cc1)ccc1-c1ccc(/C=C(/C(N2CCOCC2)=O)\NC(c2ccccc2)=O)o1)=O

InChI : InChI=1S/C24H21N3O6/c28-23(18-4-2-1-3-5-18)25-21(24(29)26-12-14-32-15-13-26)16-20-10-11-22(33-20)17-6-8-19(9-7-17)27(30)31/h1-11,16H,12-15H2,(H,25,28)

InChIK : OYZPRGAYENEAPQ-UHFFFAOYSA-N

TotalMolweight : 447.446

Molweight : 447.446

MonoisotopicMass : 447.143037

CLogP : 2.9679

CLogS : -4.991

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 339.65

Relative PSA : 0.28153

PolarSurfaceArea : 117.6

Druglikeness : 0.61337

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.51515

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 6

Symmetricatoms : 6

Amides : 2

AcidicOxygens : 1

StereoCon :

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