CID 156805359

C19H24FN2O5Pb — CID 156805359

IUPAC—
SMILESCC1(C)OCC(Cn2c(C(C)(C)COC[Pb])cc3cc([N+](=O)[O-])c(F)cc32)O1
InChIInChI=1S/C19H24FN2O5.Pb/c1-18(2,11-25-5)17-7-12-6-16(22(23)24)14(20)8-15(12)21(17)9-13-10-26-19(3,4)27-13;/h6-8,13H,5,9-11H2,1-4H3;
InChIKeyIGMAQIIQTLDMCH-UHFFFAOYSA-N
MW586.61 g/mol
LogP3.26
Rot. Bonds7

About CID 156805359

CID 156805359 (PubChem CID 156805359) has the molecular formula C19H24FN2O5Pb and a molecular weight of 586.61 g/mol.

Molecular Properties

Compound NameCID 156805359
PubChem CID156805359
Molecular FormulaC19H24FN2O5Pb
Molecular Weight586.61 g/mol
Exact Mass587.14
IUPAC Name—
SMILESCC1(C)OCC(Cn2c(C(C)(C)COC[Pb])cc3cc([N+](=O)[O-])c(F)cc32)O1
InChIInChI=1S/C19H24FN2O5.Pb/c1-18(2,11-25-5)17-7-12-6-16(22(23)24)14(20)8-15(12)21(17)9-13-10-26-19(3,4)27-13;/h6-8,13H,5,9-11H2,1-4H3;
InChIKeyIGMAQIIQTLDMCH-UHFFFAOYSA-N
XLogP3.26
TPSA75.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.61
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 156805359?
The IUPAC name of CID 156805359 (CID 156805359) is not available.
What is the SMILES notation for CID 156805359?
The canonical SMILES for CID 156805359 is CC1(C)OCC(Cn2c(C(C)(C)COC[Pb])cc3cc([N+](=O)[O-])c(F)cc32)O1.
What is the InChIKey of CID 156805359?
The InChIKey is IGMAQIIQTLDMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN2O5.Pb/c1-18(2,11-25-5)17-7-12-6-16(22(23)24)14(20)8-15(12)21(17)9-13-10-26-19(3,4)27-13;/h6-8,13H,5,9-11H2,1-4H3;.
What are the key properties of CID 156805359?
CID 156805359 has a molecular weight of 586.61 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156805359 is sourced from PubChem (CID 156805359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).