(1H-Indazol-7-yl)methanol

CAS Number: 1092961-09-5
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OCc1c2[nH]ncc2ccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8H8N2O
Molecular Weight
148.165
Drug-likeness
1.9707
CAS
1092961-09-5
InChI key
CDFSPQVWOQHSMO-UHFFFAOYSA-N
SMILES
OCc1c2[nH]ncc2ccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1092961-09-5
Molecule Name (1H-Indazol-7-yl)methanol
Molecular Formula C8H8N2O
SMILES OCc1c2[nH]ncc2ccc1
InChI InChI=1S/C8H8N2O/c11-5-7-3-1-2-6-4-9-10-8(6)7/h1-4,11H,5H2,(H,9,10)
InChI Key CDFSPQVWOQHSMO-UHFFFAOYSA-N
CanonicalSyTyLFy 6e9891f443b0db80
TotalMolweight 148.165
Molecular Weight 148.165
MonoisotopicMass 148.063663
CLogP 0.2728
CLogS -1.574
H Acceptors 3
H Donors 2
TotalSurfaceArea 116.3
Relative PSA 0.32726
PolarSurfaceArea 48.91
Drug-likeness 1.9707
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.54545
Molecula Flexibility 0.2278
Molecular Complexity 0.73647
Fragments 1
Non HAtoms 11
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Sp3Atoms 2
Aromatic Nitrogens 2

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