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

Formula:C13H12N5O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(3-bromophenyl)methylideneamino]-3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanamide is a drug-like molecule.

MolName	N-[(3-bromophenyl)methylideneamino]-3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanamide
MolecularFormula	C13H12N5O3Br
Smiles	O=C(CCC(C(N1)=O)=NNC1=O)NN=Cc1cccc(Br)c1
InChI	InChI=1S/C13H12BrN5O3/c14-9-3-1-2-8(6-9)7-15-18-11(20)5-4-10-12(21)16-13(22)19-17-10/h1-3,6-7H,4-5H2,(H,18,20)(H2,16,19,21,22)
InChIK	SLJHDQCDYBSRHC-UHFFFAOYSA-N
TotalMolweight	366.174
Molweight	366.174
MonoisotopicMass	365.012351
CLogP	1.6532
CLogS	-4.465
H Acceptors	8
H Donors	3
TotalSurfaceArea	241.27
Relative PSA	0.40005
PolarSurfaceArea	112.02
Druglikeness	4.1154
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	1
StereoCon

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