(1-Methyl-1H-indazol-7-yl)methanol

CAS Number: 1092961-08-4
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Cn1ncc2cccc(CO)c12
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C9H10N2O
Molecular Weight
162.191
Drug-likeness
3.1
CAS
1092961-08-4
InChI key
DNRBEEHECQQHAI-UHFFFAOYSA-N
SMILES
Cn1ncc2cccc(CO)c12
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1092961-08-4
Molecule Name (1-Methyl-1H-indazol-7-yl)methanol
Molecular Formula C9H10N2O
SMILES Cn1ncc2cccc(CO)c12
InChI InChI=1S/C9H10N2O/c1-11-9-7(5-10-11)3-2-4-8(9)6-12/h2-5,12H,6H2,1H3
InChI Key DNRBEEHECQQHAI-UHFFFAOYSA-N
CanonicalSyTyLFy 7fdcf6bda8e9813
TotalMolweight 162.191
Molecular Weight 162.191
MonoisotopicMass 162.079313
CLogP 0.4415
CLogS -1.768
H Acceptors 3
H Donors 1
TotalSurfaceArea 128.19
Relative PSA 0.24136
PolarSurfaceArea 38.05
Drug-likeness 3.1
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecula Flexibility 0.2131
Molecular Complexity 0.79511
Fragments 1
Non HAtoms 12
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Sp3Atoms 3
Aromatic Nitrogens 2

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