Ceclor

Name: Ceclor — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₄ClN₃O₄S — CID 7048572

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(6R,7R)-7-[[(2R)-2-azaniumyl-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

SMILES[NH3+][C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@H]12)c1ccccc1

InChIInChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1

InChIKeyQYIYFLOTGYLRGG-GPCCPHFNSA-N

MW367.81 g/mol

LogP-1.43

Rot. Bonds4

About Ceclor

Ceclor (PubChem CID 7048572) has the molecular formula C₁₅H₁₄ClN₃O₄S and a molecular weight of 367.81 g/mol. Its IUPAC name is (6R,7R)-7-[[(2R)-2-azaniumyl-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

Molecular Properties

Compound Name	Ceclor
PubChem CID	7048572
Molecular Formula	C₁₅H₁₄ClN₃O₄S
Molecular Weight	367.81 g/mol
Exact Mass	367.04
IUPAC Name	(6R,7R)-7-[[(2R)-2-azaniumyl-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SMILES	[NH3+][C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@H]12)c1ccccc1
InChI	InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
InChIKey	QYIYFLOTGYLRGG-GPCCPHFNSA-N
XLogP	-1.43
TPSA	117.18 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.81
LogP ≤ 5	-1.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Ceclor?

The IUPAC name of Ceclor (CID 7048572) is (6R,7R)-7-[[(2R)-2-azaniumyl-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

What is the SMILES notation for Ceclor?

The canonical SMILES for Ceclor is [NH3+][C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@H]12)c1ccccc1.

What is the InChIKey of Ceclor?

The InChIKey is QYIYFLOTGYLRGG-GPCCPHFNSA-N. The full InChI is InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1.

What are the key properties of Ceclor?

Ceclor has a molecular weight of 367.81 g/mol, XLogP of -1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Ceclor is sourced from PubChem (CID 7048572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: C · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 7048572 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 525 — approved-drug record (CC BY-SA 4.0)

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