CID 71439818

C19H13ClN2NaO2 — CID 71439818

IUPAC—
SMILESO=C(Nc1ccc(Cl)cc1)c1cc2c(cc1O)[nH]c1ccccc12.[Na]
InChIInChI=1S/C19H13ClN2O2.Na/c20-11-5-7-12(8-6-11)21-19(24)15-9-14-13-3-1-2-4-16(13)22-17(14)10-18(15)23;/h1-10,22-23H,(H,21,24);
InChIKeyKUMGKEVFFVHHKU-UHFFFAOYSA-N
MW359.77 g/mol
LogP4.55
Rot. Bonds2

About CID 71439818

CID 71439818 (PubChem CID 71439818) has the molecular formula C19H13ClN2NaO2 and a molecular weight of 359.77 g/mol.

Molecular Properties

Compound NameCID 71439818
PubChem CID71439818
Molecular FormulaC19H13ClN2NaO2
Molecular Weight359.77 g/mol
Exact Mass359.06
IUPAC Name—
SMILESO=C(Nc1ccc(Cl)cc1)c1cc2c(cc1O)[nH]c1ccccc12.[Na]
InChIInChI=1S/C19H13ClN2O2.Na/c20-11-5-7-12(8-6-11)21-19(24)15-9-14-13-3-1-2-4-16(13)22-17(14)10-18(15)23;/h1-10,22-23H,(H,21,24);
InChIKeyKUMGKEVFFVHHKU-UHFFFAOYSA-N
XLogP4.55
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 71439818?
The IUPAC name of CID 71439818 (CID 71439818) is not available.
What is the SMILES notation for CID 71439818?
The canonical SMILES for CID 71439818 is O=C(Nc1ccc(Cl)cc1)c1cc2c(cc1O)[nH]c1ccccc12.[Na].
What is the InChIKey of CID 71439818?
The InChIKey is KUMGKEVFFVHHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2.Na/c20-11-5-7-12(8-6-11)21-19(24)15-9-14-13-3-1-2-4-16(13)22-17(14)10-18(15)23;/h1-10,22-23H,(H,21,24);.
What are the key properties of CID 71439818?
CID 71439818 has a molecular weight of 359.77 g/mol, XLogP of 4.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71439818 is sourced from PubChem (CID 71439818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).