CID 157478328

C17H14Ca — CID 157478328

IUPAC—
SMILESC1=CC(c2ccccc2)(c2ccccc2)C=C1.[Ca]
InChIInChI=1S/C17H14.Ca/c1-3-9-15(10-4-1)17(13-7-8-14-17)16-11-5-2-6-12-16;/h1-14H;
InChIKeyBVVZXRYQJIDMIF-UHFFFAOYSA-N
MW258.38 g/mol
LogP3.72
Rot. Bonds2

About CID 157478328

CID 157478328 (PubChem CID 157478328) has the molecular formula C17H14Ca and a molecular weight of 258.38 g/mol.

Molecular Properties

Compound NameCID 157478328
PubChem CID157478328
Molecular FormulaC17H14Ca
Molecular Weight258.38 g/mol
Exact Mass258.07
IUPAC Name—
SMILESC1=CC(c2ccccc2)(c2ccccc2)C=C1.[Ca]
InChIInChI=1S/C17H14.Ca/c1-3-9-15(10-4-1)17(13-7-8-14-17)16-11-5-2-6-12-16;/h1-14H;
InChIKeyBVVZXRYQJIDMIF-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 157478328?
The IUPAC name of CID 157478328 (CID 157478328) is not available.
What is the SMILES notation for CID 157478328?
The canonical SMILES for CID 157478328 is C1=CC(c2ccccc2)(c2ccccc2)C=C1.[Ca].
What is the InChIKey of CID 157478328?
The InChIKey is BVVZXRYQJIDMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14.Ca/c1-3-9-15(10-4-1)17(13-7-8-14-17)16-11-5-2-6-12-16;/h1-14H;.
What are the key properties of CID 157478328?
CID 157478328 has a molecular weight of 258.38 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157478328 is sourced from PubChem (CID 157478328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).