5-[[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methyl]furan-2-carboxylic acid

Formula:C17H13N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methyl]furan-2-carboxylic acid is a drug-like molecule.

MolName	5-[[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methyl]furan-2-carboxylic acid
MolecularFormula	C17H13N5O3
Smiles	OC(c1ccc(Cn2c(cccc3)c3c(/C=N\n3cnnc3)c2)o1)=O
InChI	InChI=1S/C17H13N5O3/c23-17(24)16-6-5-13(25-16)9-21-8-12(7-20-22-10-18-19-11-22)14-3-1-2-4-15(14)21/h1-8,10-11H,9H2,(H,23,24)
InChIK	JSSBCHSZQCSQCK-UHFFFAOYSA-N
TotalMolweight	335.322
Molweight	335.322
MonoisotopicMass	335.10184
CLogP	1.4858
CLogS	-5.007
H Acceptors	8
H Donors	1
TotalSurfaceArea	255.61
Relative PSA	0.34208
PolarSurfaceArea	98.44
Druglikeness	5.0714
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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