N-[(E)-(4-bromophenyl)methylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide

Formula:C13H13N6O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-(4-bromophenyl)methylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide is a drug-like molecule.

MolName	N-[(E)-(4-bromophenyl)methylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide
MolecularFormula	C13H13N6O3Br
Smiles	O=C(CCNC(C(N1)=O)=NNC1=O)N/N=C/c(cc1)ccc1Br
InChI	InChI=1S/C13H13BrN6O3/c14-9-3-1-8(2-4-9)7-16-18-10(21)5-6-15-11-12(22)17-13(23)20-19-11/h1-4,7H,5-6H2,(H,15,19)(H,18,21)(H2,17,20,22,23)
InChIK	QPKYCDJORCUZRV-UHFFFAOYSA-N
TotalMolweight	381.189
Molweight	381.189
MonoisotopicMass	380.02325
CLogP	0.5242
CLogS	-4.04
H Acceptors	9
H Donors	4
TotalSurfaceArea	252.73
Relative PSA	0.42725
PolarSurfaceArea	124.05
Druglikeness	5.1197
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.73913
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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