CID 59679809

C11H10V2-2 — CID 59679809

IUPAC—
SMILES[H]/[C-]=C/C=C\C(=[V])C/[C-]=C/C=C\C=[V]
InChIInChI=1S/C11H10.2V/c1-3-5-7-9-11-10-8-6-4-2;;/h1-8H,11H2;;/q-2;;/b5-3-,8-6-;;
InChIKeyBZZIXLCSBDPVAZ-DXUFBEBYSA-N
MW244.09 g/mol
LogP1.91
Rot. Bonds6

About CID 59679809

CID 59679809 (PubChem CID 59679809) has the molecular formula C11H10V2-2 and a molecular weight of 244.09 g/mol.

Molecular Properties

Compound NameCID 59679809
PubChem CID59679809
Molecular FormulaC11H10V2-2
Molecular Weight244.09 g/mol
Exact Mass243.97
IUPAC Name—
SMILES[H]/[C-]=C/C=C\C(=[V])C/[C-]=C/C=C\C=[V]
InChIInChI=1S/C11H10.2V/c1-3-5-7-9-11-10-8-6-4-2;;/h1-8H,11H2;;/q-2;;/b5-3-,8-6-;;
InChIKeyBZZIXLCSBDPVAZ-DXUFBEBYSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze CID 59679809 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 59679809?
The IUPAC name of CID 59679809 (CID 59679809) is not available.
What is the SMILES notation for CID 59679809?
The canonical SMILES for CID 59679809 is [H]/[C-]=C/C=C\C(=[V])C/[C-]=C/C=C\C=[V].
What is the InChIKey of CID 59679809?
The InChIKey is BZZIXLCSBDPVAZ-DXUFBEBYSA-N. The full InChI is InChI=1S/C11H10.2V/c1-3-5-7-9-11-10-8-6-4-2;;/h1-8H,11H2;;/q-2;;/b5-3-,8-6-;;.
What are the key properties of CID 59679809?
CID 59679809 has a molecular weight of 244.09 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59679809 is sourced from PubChem (CID 59679809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).