CID 73055968

C12H10ClN2O — CID 73055968

IUPAC—
SMILESO=C(N[C]1[CH][CH][CH][CH]1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10ClN2O/c13-9-4-3-7-11(8-9)15-12(16)14-10-5-1-2-6-10/h1-8H,(H2,14,15,16)
InChIKeyHEOZJRZWCVSPLZ-UHFFFAOYSA-N
MW233.68 g/mol
LogP2.82
Rot. Bonds2

About CID 73055968

CID 73055968 (PubChem CID 73055968) has the molecular formula C12H10ClN2O and a molecular weight of 233.68 g/mol.

Molecular Properties

Compound NameCID 73055968
PubChem CID73055968
Molecular FormulaC12H10ClN2O
Molecular Weight233.68 g/mol
Exact Mass233.05
IUPAC Name—
SMILESO=C(N[C]1[CH][CH][CH][CH]1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10ClN2O/c13-9-4-3-7-11(8-9)15-12(16)14-10-5-1-2-6-10/h1-8H,(H2,14,15,16)
InChIKeyHEOZJRZWCVSPLZ-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 73055968?
The IUPAC name of CID 73055968 (CID 73055968) is not available.
What is the SMILES notation for CID 73055968?
The canonical SMILES for CID 73055968 is O=C(N[C]1[CH][CH][CH][CH]1)Nc1cccc(Cl)c1.
What is the InChIKey of CID 73055968?
The InChIKey is HEOZJRZWCVSPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN2O/c13-9-4-3-7-11(8-9)15-12(16)14-10-5-1-2-6-10/h1-8H,(H2,14,15,16).
What are the key properties of CID 73055968?
CID 73055968 has a molecular weight of 233.68 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 73055968 is sourced from PubChem (CID 73055968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).