(2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl)hydrazine

CAS Number: 82277-72-3
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CC(C)(Cc1ccc2)Oc1c2NN
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C10H14N2O
Molecular Weight
178.234
Drug-likeness
-6.033
CAS
82277-72-3
InChI key
IOADWZHQMWLVJT-UHFFFAOYSA-N
SMILES
CC(C)(Cc1ccc2)Oc1c2NN
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 82277-72-3
Molecule Name (2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl)hydrazine
Molecular Formula C10H14N2O
SMILES CC(C)(Cc1ccc2)Oc1c2NN
InChI InChI=1S/C10H14N2O/c1-10(2)6-7-4-3-5-8(12-11)9(7)13-10/h3-5,12H,6,11H2,1-2H3
InChI Key IOADWZHQMWLVJT-UHFFFAOYSA-N
CanonicalSyTyLFy 745c973e7c4366fd
TotalMolweight 178.234
Molecular Weight 178.234
MonoisotopicMass 178.110613
CLogP 2.4706
CLogS -2.264
H Acceptors 3
H Donors 2
TotalSurfaceArea 138.43
Relative PSA 0.26533
PolarSurfaceArea 47.28
Drug-likeness -6.033
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.53846
Molecula Flexibility 0.011543
Molecular Complexity 0.71863
Fragments 1
Non HAtoms 13
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 6
Symmetricatoms 1

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