CID 57419547

C12H11 — CID 57419547

IUPAC—
SMILES[CH2]Cc1cccc2ccccc12
InChIInChI=1S/C12H11/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,1-2H2
InChIKeyNQEDNFGQIUBFQU-UHFFFAOYSA-N
MW155.22 g/mol
LogP3.22
Rot. Bonds1

About CID 57419547

CID 57419547 (PubChem CID 57419547) has the molecular formula C12H11 and a molecular weight of 155.22 g/mol.

Molecular Properties

Compound NameCID 57419547
PubChem CID57419547
Molecular FormulaC12H11
Molecular Weight155.22 g/mol
Exact Mass155.09
IUPAC Name—
SMILES[CH2]Cc1cccc2ccccc12
InChIInChI=1S/C12H11/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,1-2H2
InChIKeyNQEDNFGQIUBFQU-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 57419547 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 57419547?
The IUPAC name of CID 57419547 (CID 57419547) is not available.
What is the SMILES notation for CID 57419547?
The canonical SMILES for CID 57419547 is [CH2]Cc1cccc2ccccc12.
What is the InChIKey of CID 57419547?
The InChIKey is NQEDNFGQIUBFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,1-2H2.
What are the key properties of CID 57419547?
CID 57419547 has a molecular weight of 155.22 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57419547 is sourced from PubChem (CID 57419547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).