CID 134902760

C13H9 — CID 134902760

IUPAC—
SMILESC1=C[C]2C(=C1)C=Cc1ccccc12
InChIInChI=1S/C13H9/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h1-9H
InChIKeyJJPINSLEXUWOAE-UHFFFAOYSA-N
MW165.21 g/mol
LogP3.13
Rot. Bonds

About CID 134902760

CID 134902760 (PubChem CID 134902760) has the molecular formula C13H9 and a molecular weight of 165.21 g/mol.

Molecular Properties

Compound NameCID 134902760
PubChem CID134902760
Molecular FormulaC13H9
Molecular Weight165.21 g/mol
Exact Mass165.07
IUPAC Name—
SMILESC1=C[C]2C(=C1)C=Cc1ccccc12
InChIInChI=1S/C13H9/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h1-9H
InChIKeyJJPINSLEXUWOAE-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134902760?
The IUPAC name of CID 134902760 (CID 134902760) is not available.
What is the SMILES notation for CID 134902760?
The canonical SMILES for CID 134902760 is C1=C[C]2C(=C1)C=Cc1ccccc12.
What is the InChIKey of CID 134902760?
The InChIKey is JJPINSLEXUWOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h1-9H.
What are the key properties of CID 134902760?
CID 134902760 has a molecular weight of 165.21 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902760 is sourced from PubChem (CID 134902760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).