CID 157355117

C9H10Na2 — CID 157355117

IUPAC—
SMILESCC=Cc1ccccc1.[Na].[Na]
InChIInChI=1S/C9H10.2Na/c1-2-6-9-7-4-3-5-8-9;;/h2-8H,1H3;;
InChIKeyBHZKIZOZCJAYFP-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.96
Rot. Bonds1

About CID 157355117

CID 157355117 (PubChem CID 157355117) has the molecular formula C9H10Na2 and a molecular weight of 164.16 g/mol.

Molecular Properties

Compound NameCID 157355117
PubChem CID157355117
Molecular FormulaC9H10Na2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name—
SMILESCC=Cc1ccccc1.[Na].[Na]
InChIInChI=1S/C9H10.2Na/c1-2-6-9-7-4-3-5-8-9;;/h2-8H,1H3;;
InChIKeyBHZKIZOZCJAYFP-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 157355117 with MolForge

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

Launch Full Analysis

Related Compounds

ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
buta-1,3-diene;bis(prop-1-enylbenzene)
CID 172716960
prop-1-enylbenzene;trimethylazanium;bromide
CID 69252782
2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
prop-1-enylbenzene;thiourea
CID 172856640
(E)-3-phenylprop-2-enal;[(E)-prop-1-enyl]benzene
CID 22568680
CID 70569152
CID 70569152
2-deuterioethenylbenzene;prop-1-enylbenzene
CID 162227902
propane-1,2-diol;prop-1-enylbenzene
CID 161072622
2,2-dimethylpropanoate;[(E)-prop-1-enyl]benzene;zinc
CID 122206574
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
CID 70567885
CID 70567885

Frequently Asked Questions

What is the IUPAC name of CID 157355117?
The IUPAC name of CID 157355117 (CID 157355117) is not available.
What is the SMILES notation for CID 157355117?
The canonical SMILES for CID 157355117 is CC=Cc1ccccc1.[Na].[Na].
What is the InChIKey of CID 157355117?
The InChIKey is BHZKIZOZCJAYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.2Na/c1-2-6-9-7-4-3-5-8-9;;/h2-8H,1H3;;.
What are the key properties of CID 157355117?
CID 157355117 has a molecular weight of 164.16 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157355117 is sourced from PubChem (CID 157355117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).