CID 12717825

C8H7 — CID 12717825

IUPAC—
SMILESC=[C]c1ccccc1
InChIInChI=1S/C8H7/c1-2-8-6-4-3-5-7-8/h3-7H,1H2
InChIKeyHVOAOEQOQJYIGP-UHFFFAOYSA-N
MW103.14 g/mol
LogP2.02
Rot. Bonds1

About CID 12717825

CID 12717825 (PubChem CID 12717825) has the molecular formula C8H7 and a molecular weight of 103.14 g/mol.

Molecular Properties

Compound NameCID 12717825
PubChem CID12717825
Molecular FormulaC8H7
Molecular Weight103.14 g/mol
Exact Mass103.05
IUPAC Name—
SMILESC=[C]c1ccccc1
InChIInChI=1S/C8H7/c1-2-8-6-4-3-5-7-8/h3-7H,1H2
InChIKeyHVOAOEQOQJYIGP-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 12717825?
The IUPAC name of CID 12717825 (CID 12717825) is not available.
What is the SMILES notation for CID 12717825?
The canonical SMILES for CID 12717825 is C=[C]c1ccccc1.
What is the InChIKey of CID 12717825?
The InChIKey is HVOAOEQOQJYIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7/c1-2-8-6-4-3-5-7-8/h3-7H,1H2.
What are the key properties of CID 12717825?
CID 12717825 has a molecular weight of 103.14 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12717825 is sourced from PubChem (CID 12717825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).