(2-Fluoro-5-methoxyphenyl)hydrazine--hydrogen chloride (1/1)

CAS Number: 1198283-29-2
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COc(cc1)cc(NN)c1F.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C7H9N2OF
Molecular Weight
156.159
Drug-likeness
-5.7426
CAS
1198283-29-2
InChI key
ZZUXPUUETOOTMQ-UHFFFAOYSA-N
SMILES
COc(cc1)cc(NN)c1F.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1198283-29-2
Molecule Name (2-Fluoro-5-methoxyphenyl)hydrazine--hydrogen chloride (1/1)
Molecular Formula HCl.C7H9N2OF
SMILES COc(cc1)cc(NN)c1F.Cl
InChI InChI=1S/C7H9FN2O.ClH/c1-11-5-2-3-6(8)7(4-5)10-9;/h2-4,10H,9H2,1H3;1H
InChI Key ZZUXPUUETOOTMQ-UHFFFAOYSA-N
CanonicalSyTyLFy 63dcd2dd6c93da4d
TotalMolweight 192.62
Molecular Weight 156.159
MonoisotopicMass 156.069891
CLogP 1.6529
CLogS -1.742
H Acceptors 3
H Donors 2
TotalSurfaceArea 121.85
Relative PSA 0.30144
PolarSurfaceArea 47.28
Drug-likeness -5.7426
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.63636
Molecula Flexibility 0.23339
Molecular Complexity 0.70527
Fragments 2
Non HAtoms 11
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3

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