CID 68568728

C22H12N2NaO4 — CID 68568728

IUPAC—
SMILESO=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)cc2)nc2ccccc12.[Na]
InChIInChI=1S/C22H12N2O4.Na/c25-21-15-5-1-3-7-17(15)23-19(27-21)13-9-11-14(12-10-13)20-24-18-8-4-2-6-16(18)22(26)28-20;/h1-12H;
InChIKeyBVPNDYUPPWMLKV-UHFFFAOYSA-N
MW391.34 g/mol
LogP3.64
Rot. Bonds2

About CID 68568728

CID 68568728 (PubChem CID 68568728) has the molecular formula C22H12N2NaO4 and a molecular weight of 391.34 g/mol.

Molecular Properties

Compound NameCID 68568728
PubChem CID68568728
Molecular FormulaC22H12N2NaO4
Molecular Weight391.34 g/mol
Exact Mass391.07
IUPAC Name—
SMILESO=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)cc2)nc2ccccc12.[Na]
InChIInChI=1S/C22H12N2O4.Na/c25-21-15-5-1-3-7-17(15)23-19(27-21)13-9-11-14(12-10-13)20-24-18-8-4-2-6-16(18)22(26)28-20;/h1-12H;
InChIKeyBVPNDYUPPWMLKV-UHFFFAOYSA-N
XLogP3.64
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 68568728?
The IUPAC name of CID 68568728 (CID 68568728) is not available.
What is the SMILES notation for CID 68568728?
The canonical SMILES for CID 68568728 is O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)cc2)nc2ccccc12.[Na].
What is the InChIKey of CID 68568728?
The InChIKey is BVPNDYUPPWMLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2O4.Na/c25-21-15-5-1-3-7-17(15)23-19(27-21)13-9-11-14(12-10-13)20-24-18-8-4-2-6-16(18)22(26)28-20;/h1-12H;.
What are the key properties of CID 68568728?
CID 68568728 has a molecular weight of 391.34 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68568728 is sourced from PubChem (CID 68568728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).