CID 161270720

C10H12ClNNaO2 — CID 161270720

IUPAC—
SMILESCOc1ccc(Cl)cc1C1CNCO1.[Na]
InChIInChI=1S/C10H12ClNO2.Na/c1-13-9-3-2-7(11)4-8(9)10-5-12-6-14-10;/h2-4,10,12H,5-6H2,1H3;
InChIKeyVDTXCGGHMKQWSX-UHFFFAOYSA-N
MW236.65 g/mol
LogP1.59
Rot. Bonds2

About CID 161270720

CID 161270720 (PubChem CID 161270720) has the molecular formula C10H12ClNNaO2 and a molecular weight of 236.65 g/mol.

Molecular Properties

Compound NameCID 161270720
PubChem CID161270720
Molecular FormulaC10H12ClNNaO2
Molecular Weight236.65 g/mol
Exact Mass236.05
IUPAC Name—
SMILESCOc1ccc(Cl)cc1C1CNCO1.[Na]
InChIInChI=1S/C10H12ClNO2.Na/c1-13-9-3-2-7(11)4-8(9)10-5-12-6-14-10;/h2-4,10,12H,5-6H2,1H3;
InChIKeyVDTXCGGHMKQWSX-UHFFFAOYSA-N
XLogP1.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 161270720?
The IUPAC name of CID 161270720 (CID 161270720) is not available.
What is the SMILES notation for CID 161270720?
The canonical SMILES for CID 161270720 is COc1ccc(Cl)cc1C1CNCO1.[Na].
What is the InChIKey of CID 161270720?
The InChIKey is VDTXCGGHMKQWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2.Na/c1-13-9-3-2-7(11)4-8(9)10-5-12-6-14-10;/h2-4,10,12H,5-6H2,1H3;.
What are the key properties of CID 161270720?
CID 161270720 has a molecular weight of 236.65 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161270720 is sourced from PubChem (CID 161270720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).