N-(2,4-Dichlorophenyl)hydrazinecarboxamide

CAS Number: 732223-04-0
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NNC(Nc(ccc(Cl)c1)c1Cl)=O
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: high
Formula
C7H7N3OCl2
Molecular Weight
220.059
Drug-likeness
-4.682
CAS
732223-04-0
InChI key
UQRODDZHYZHAKL-UHFFFAOYSA-N
SMILES
NNC(Nc(ccc(Cl)c1)c1Cl)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 732223-04-0
Molecule Name N-(2,4-Dichlorophenyl)hydrazinecarboxamide
Molecular Formula C7H7N3OCl2
SMILES NNC(Nc(ccc(Cl)c1)c1Cl)=O
InChI InChI=1S/C7H7Cl2N3O/c8-4-1-2-6(5(9)3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChI Key UQRODDZHYZHAKL-UHFFFAOYSA-N
CanonicalSyTyLFy e60b086b27b7d74c
TotalMolweight 220.059
Molecular Weight 220.059
MonoisotopicMass 218.996616
CLogP 1.1887
CLogS -3.97
H Acceptors 4
H Donors 3
TotalSurfaceArea 153.29
Relative PSA 0.3342
PolarSurfaceArea 67.15
Drug-likeness -4.682
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant high
Nasty Functions hydrazine
Shape Index 0.69231
Molecula Flexibility 0.39337
Molecular Complexity 0.67674
Fragments 1
Non HAtoms 13
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1
Amides 1

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