(2-methoxyphenyl)cyanamide

CAS Number: 65195-61-1
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COc(cccc1)c1NC#N
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8H8N2O
Molecular Weight
148.165
Drug-likeness
-3.2693
CAS
65195-61-1
InChI key
GGHNCFFNFXYQKV-UHFFFAOYSA-N
SMILES
COc(cccc1)c1NC#N
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 65195-61-1
Molecule Name (2-methoxyphenyl)cyanamide
Molecular Formula C8H8N2O
SMILES COc(cccc1)c1NC#N
InChI InChI=1S/C8H8N2O/c1-11-8-5-3-2-4-7(8)10-6-9/h2-5,10H,1H3
InChI Key GGHNCFFNFXYQKV-UHFFFAOYSA-N
CanonicalSyTyLFy 56e8389fe5876627
TotalMolweight 148.165
Molecular Weight 148.165
MonoisotopicMass 148.063663
CLogP 0.9
CLogS -2.028
H Acceptors 3
H Donors 1
TotalSurfaceArea 128.69
Relative PSA 0.27213
PolarSurfaceArea 45.05
Drug-likeness -3.2693
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.63636
Molecula Flexibility 0.25395
Molecular Complexity 0.68024
Fragments 1
Non HAtoms 11
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 2

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