N-[(Z)-3-amino-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C14H11N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-amino-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolNameN-[(Z)-3-amino-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormulaC14H11N2O3Br
SmilesNC(/C(/NC(c1ccco1)=O)=C/c(cc1)ccc1Br)=O
InChIInChI=1S/C14H11BrN2O3/c15-10-5-3-9(4-6-10)8-11(13(16)18)17-14(19)12-2-1-7-20-12/h1-8H,(H2,16,18)(H,17,19)
InChIKHIAIOAKCJBAMDG-UHFFFAOYSA-N
TotalMolweight335.156
Molweight335.156
MonoisotopicMass333.995304
CLogP2.2775
CLogS-3.966
H Acceptors5
H Donors2
TotalSurfaceArea221.53
Relative PSA0.30208
PolarSurfaceArea85.33
Druglikeness1.2791
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Fragments1
Non HAtoms20
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Symmetricatoms2
Amides2
StereoCon

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