Formamide--hydrogen chloride (1/1)

CAS Number: 25600-32-2
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NC=O.Cl
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: high
Formula
HCl.CH3NO
Molecular Weight
45.0408
Drug-likeness
-1.8387
CAS
25600-32-2
InChI key
GTCCMGFBIWUBLQ-UHFFFAOYSA-N
SMILES
NC=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 25600-32-2
Molecule Name Formamide--hydrogen chloride (1/1)
Molecular Formula HCl.CH3NO
SMILES NC=O.Cl
InChI InChI=1S/CH3NO.ClH/c2-1-3;/h1H,(H2,2,3);1H
InChI Key GTCCMGFBIWUBLQ-UHFFFAOYSA-N
CanonicalSyTyLFy 965242dab04ec465
TotalMolweight 81.5018
Molecular Weight 45.0408
MonoisotopicMass 45.021464
CLogP -1.0677
CLogS -0.704
H Acceptors 2
H Donors 1
TotalSurfaceArea 41.56
Relative PSA 0.68118
PolarSurfaceArea 43.09
Drug-likeness -1.8387
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant high
Shape Index 1
Fragments 2
Non HAtoms 3
NonCHAtoms 2
Electronegative Atoms 2
Amides 1

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