CID 174082898

C18H6B5ClO — CID 174082898

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2cc(Cl)cc3c2oc2ccccc23)c([B])c1[B]
InChIInChI=1S/C18H6B5ClO/c19-13-12(14(20)16(22)17(23)15(13)21)10-6-7(24)5-9-8-3-1-2-4-11(8)25-18(9)10/h1-6H
InChIKeyZKNKJTDOFKFYRF-UHFFFAOYSA-N
MW327.76 g/mol
LogP-0.12
Rot. Bonds1

About CID 174082898

CID 174082898 (PubChem CID 174082898) has the molecular formula C18H6B5ClO and a molecular weight of 327.76 g/mol.

Molecular Properties

Compound NameCID 174082898
PubChem CID174082898
Molecular FormulaC18H6B5ClO
Molecular Weight327.76 g/mol
Exact Mass328.06
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2cc(Cl)cc3c2oc2ccccc23)c([B])c1[B]
InChIInChI=1S/C18H6B5ClO/c19-13-12(14(20)16(22)17(23)15(13)21)10-6-7(24)5-9-8-3-1-2-4-11(8)25-18(9)10/h1-6H
InChIKeyZKNKJTDOFKFYRF-UHFFFAOYSA-N
XLogP-0.12
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
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2,4-dichloroxanthene-9-thione
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5-chloro-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
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CID 174071627
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4-chlorodibenzofuran-2-ol
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4-anthracen-9-yldibenzofuran
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2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
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Frequently Asked Questions

What is the IUPAC name of CID 174082898?
The IUPAC name of CID 174082898 (CID 174082898) is not available.
What is the SMILES notation for CID 174082898?
The canonical SMILES for CID 174082898 is [B]c1c([B])c([B])c(-c2cc(Cl)cc3c2oc2ccccc23)c([B])c1[B].
What is the InChIKey of CID 174082898?
The InChIKey is ZKNKJTDOFKFYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6B5ClO/c19-13-12(14(20)16(22)17(23)15(13)21)10-6-7(24)5-9-8-3-1-2-4-11(8)25-18(9)10/h1-6H.
What are the key properties of CID 174082898?
CID 174082898 has a molecular weight of 327.76 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174082898 is sourced from PubChem (CID 174082898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).