2-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]ethanol

Formula:C8H9N4OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]ethanol is a drug-like molecule.

MolName2-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]ethanol
MolecularFormulaC8H9N4OCl
SmilesOCCNc1c2[nH]ccc2nc(Cl)n1
InChIInChI=1S/C8H9ClN4O/c9-8-12-5-1-2-10-6(5)7(13-8)11-3-4-14/h1-2,10,14H,3-4H2,(H,11,12,13)
InChIKRBGAAYQJCJRSFB-UHFFFAOYSA-N
TotalMolweight212.639
Molweight212.639
MonoisotopicMass212.046488
CLogP0.5844
CLogS-1.915
H Acceptors5
H Donors3
TotalSurfaceArea155.7
Relative PSA0.3885
PolarSurfaceArea73.83
Druglikeness0.098835
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57143
Fragments1
Non HAtoms14
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms9
Sp3Atoms3
Aromatic Nitrogens3
StereoCon

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