3-(benzotriazol-1-yl)-N'-hydroxypropanimidamide

Formula:C9H11N5O Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-(benzotriazol-1-yl)-N'-hydroxypropanimidamide is a drug-like molecule.

MolName	3-(benzotriazol-1-yl)-N'-hydroxypropanimidamide
MolecularFormula	C9H11N5O
Smiles	N/C(/CCn1nnc2c1cccc2)=N/O
InChI	InChI=1S/C9H11N5O/c10-9(12-15)5-6-14-8-4-2-1-3-7(8)11-13-14/h1-4,15H,5-6H2,(H2,10,12)
InChIK	SDKXZWKUUYKWAW-UHFFFAOYSA-N
TotalMolweight	205.22
Molweight	205.22
MonoisotopicMass	205.09636
CLogP	0.4646
CLogS	-1.969
H Acceptors	6
H Donors	2
TotalSurfaceArea	159.94
Relative PSA	0.42947
PolarSurfaceArea	89.32
Druglikeness	-3.1033
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	15
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	3
Aromatic Nitrogens	3
StereoCon

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