CID 134863644

C15H13ClNO — CID 134863644

IUPAC—
SMILESClc1ccc(C2CC(c3ccccc3)[N]O2)cc1
InChIInChI=1S/C15H13ClNO/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKeyKLRFCBMVGFVMLV-UHFFFAOYSA-N
MW258.73 g/mol
LogP4.06
Rot. Bonds2

About CID 134863644

CID 134863644 (PubChem CID 134863644) has the molecular formula C15H13ClNO and a molecular weight of 258.73 g/mol.

Molecular Properties

Compound NameCID 134863644
PubChem CID134863644
Molecular FormulaC15H13ClNO
Molecular Weight258.73 g/mol
Exact Mass258.07
IUPAC Name—
SMILESClc1ccc(C2CC(c3ccccc3)[N]O2)cc1
InChIInChI=1S/C15H13ClNO/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKeyKLRFCBMVGFVMLV-UHFFFAOYSA-N
XLogP4.06
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 134863644?
The IUPAC name of CID 134863644 (CID 134863644) is not available.
What is the SMILES notation for CID 134863644?
The canonical SMILES for CID 134863644 is Clc1ccc(C2CC(c3ccccc3)[N]O2)cc1.
What is the InChIKey of CID 134863644?
The InChIKey is KLRFCBMVGFVMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClNO/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-9,14-15H,10H2.
What are the key properties of CID 134863644?
CID 134863644 has a molecular weight of 258.73 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134863644 is sourced from PubChem (CID 134863644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).