(2-Fluorophenyl)cyanamide

CAS Number: 71232-23-0
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N#CNc(cccc1)c1F
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H5N2F
Molecular Weight
136.129
Drug-likeness
-4.495
CAS
71232-23-0
InChI key
HKOFCSYNFPLDFD-UHFFFAOYSA-N
SMILES
N#CNc(cccc1)c1F
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 71232-23-0
Molecule Name (2-Fluorophenyl)cyanamide
Molecular Formula C7H5N2F
SMILES N#CNc(cccc1)c1F
InChI InChI=1S/C7H5FN2/c8-6-3-1-2-4-7(6)10-5-9/h1-4,10H
InChI Key HKOFCSYNFPLDFD-UHFFFAOYSA-N
CanonicalSyTyLFy df1672f66a4b7ac9
TotalMolweight 136.129
Molecular Weight 136.129
MonoisotopicMass 136.043676
CLogP 1.0708
CLogS -2.324
H Acceptors 2
H Donors 1
TotalSurfaceArea 112.78
Relative PSA 0.22185
PolarSurfaceArea 35.82
Drug-likeness -4.495
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.27939
Molecular Complexity 0.64378
Fragments 1
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6

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