CID 87867693

C14H10AsFN2O — CID 87867693

IUPAC—
SMILESO=c1[nH][nH]c2cc(Cc3ccc(F)cc3)c([As])cc12
InChIInChI=1S/C14H10AsFN2O/c15-12-7-11-13(17-18-14(11)19)6-9(12)5-8-1-3-10(16)4-2-8/h1-4,6-7H,5H2,(H2,17,18,19)
InChIKeyOPDIDVDPNHHZJK-UHFFFAOYSA-N
MW316.17 g/mol
LogP1.38
Rot. Bonds2

About CID 87867693

CID 87867693 (PubChem CID 87867693) has the molecular formula C14H10AsFN2O and a molecular weight of 316.17 g/mol.

Molecular Properties

Compound NameCID 87867693
PubChem CID87867693
Molecular FormulaC14H10AsFN2O
Molecular Weight316.17 g/mol
Exact Mass316.00
IUPAC Name—
SMILESO=c1[nH][nH]c2cc(Cc3ccc(F)cc3)c([As])cc12
InChIInChI=1S/C14H10AsFN2O/c15-12-7-11-13(17-18-14(11)19)6-9(12)5-8-1-3-10(16)4-2-8/h1-4,6-7H,5H2,(H2,17,18,19)
InChIKeyOPDIDVDPNHHZJK-UHFFFAOYSA-N
XLogP1.38
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Indazolinone
CID 81829
6-fluoro-1H-indazol-3-ol
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4-ethyl-N'-(4-fluorophenyl)benzohydrazide
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4-fluoro-1H-indazol-3-ol
CID 2810172
5-fluoro-1H-indazol-3-ol
CID 24728240
4-Phenyl-1,2-dihydroindazol-3-one
CID 49830958
2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide
CID 90063473
2-amino-6-fluoro-N'-(3-fluorophenyl)benzohydrazide
CID 90063661
2-amino-6-fluoro-N'-phenylbenzohydrazide
CID 123989281
2-amino-6-fluoro-N'-phenylbenzohydrazide;hydrochloride
CID 168298271
2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide;hydrochloride
CID 168299052

Frequently Asked Questions

What is the IUPAC name of CID 87867693?
The IUPAC name of CID 87867693 (CID 87867693) is not available.
What is the SMILES notation for CID 87867693?
The canonical SMILES for CID 87867693 is O=c1[nH][nH]c2cc(Cc3ccc(F)cc3)c([As])cc12.
What is the InChIKey of CID 87867693?
The InChIKey is OPDIDVDPNHHZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10AsFN2O/c15-12-7-11-13(17-18-14(11)19)6-9(12)5-8-1-3-10(16)4-2-8/h1-4,6-7H,5H2,(H2,17,18,19).
What are the key properties of CID 87867693?
CID 87867693 has a molecular weight of 316.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87867693 is sourced from PubChem (CID 87867693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).