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

Formula:C13H10N6OCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:low 3-N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3,4-diamine is not a drug-like molecule.

MolName	3-N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3,4-diamine
MolecularFormula	C13H10N6OCl2
Smiles	Nn1c(N/N=C/c2ccc(-c(ccc(Cl)c3)c3Cl)o2)nnc1
InChI	InChI=1S/C13H10Cl2N6O/c14-8-1-3-10(11(15)5-8)12-4-2-9(22-12)6-17-19-13-20-18-7-21(13)16/h1-7H,16H2,(H,19,20)
InChIK	RCOKFHBHAAWSRW-UHFFFAOYSA-N
TotalMolweight	337.169
Molweight	337.169
MonoisotopicMass	336.029313
CLogP	5.1537
CLogS	-7.686
H Acceptors	7
H Donors	2
TotalSurfaceArea	244.77
Relative PSA	0.33158
PolarSurfaceArea	94.26
Druglikeness	3.9618
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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