3-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3,4-diamine

Formula:C13H11N6OBr Mutagenic:high Tumorigenic:high Reproductive Effective:low 3-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3,4-diamine is a drug-like molecule.

MolName	3-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3,4-diamine
MolecularFormula	C13H11N6OBr
Smiles	Nn1c(N/N=C\c2ccc(-c(cc3)ccc3Br)o2)nnc1
InChI	InChI=1S/C13H11BrN6O/c14-10-3-1-9(2-4-10)12-6-5-11(21-12)7-16-18-13-19-17-8-20(13)15/h1-8H,15H2,(H,18,19)
InChIK	KJYDYCDDHMLOJZ-UHFFFAOYSA-N
TotalMolweight	347.175
Molweight	347.175
MonoisotopicMass	346.01777
CLogP	4.6669
CLogS	-7.048
H Acceptors	7
H Donors	2
TotalSurfaceArea	232.56
Relative PSA	0.34899
PolarSurfaceArea	94.26
Druglikeness	2.1518
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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