N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide

Formula:C20H19N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide is a drug-like molecule.

MolName	N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
MolecularFormula	C20H19N2O5Br
Smiles	OCCCNC(/C(/NC(c(cccc1)c1Br)=O)=C/c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C20H19BrN2O5/c21-15-5-2-1-4-14(15)19(25)23-16(20(26)22-8-3-9-24)10-13-6-7-17-18(11-13)28-12-27-17/h1-2,4-7,10-11,24H,3,8-9,12H2,(H,22,26)(H,23,25)
InChIK	GILNAGRDJXZZNC-UHFFFAOYSA-N
TotalMolweight	447.284
Molweight	447.284
MonoisotopicMass	446.047734
CLogP	3.4857
CLogS	-4.974
H Acceptors	7
H Donors	3
TotalSurfaceArea	302.67
Relative PSA	0.27125
PolarSurfaceArea	96.89
Druglikeness	-0.18875
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	2
StereoCon

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