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

Formula:C17H17N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1-(4-bromophenyl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(Z)-1-(4-bromophenyl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C17H17N2O4Br
Smiles	OCCCNC(/C(/NC(c1ccco1)=O)=C/c(cc1)ccc1Br)=O
InChI	InChI=1S/C17H17BrN2O4/c18-13-6-4-12(5-7-13)11-14(16(22)19-8-2-9-21)20-17(23)15-3-1-10-24-15/h1,3-7,10-11,21H,2,8-9H2,(H,19,22)(H,20,23)
InChIK	VXRKXXHWKLEDRI-UHFFFAOYSA-N
TotalMolweight	393.236
Molweight	393.236
MonoisotopicMass	392.037169
CLogP	2.563
CLogS	-3.945
H Acceptors	6
H Donors	3
TotalSurfaceArea	272.1
Relative PSA	0.28008
PolarSurfaceArea	91.57
Druglikeness	-0.18217
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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