CID 170722085

C16H17N2O2Pb — CID 170722085

IUPAC—
SMILES[H]/N=C(/CC(N[Pb])c1ccc2ccccc2c1)C(=O)OCC
InChIInChI=1S/C16H17N2O2.Pb/c1-2-20-16(19)15(18)10-14(17)13-8-7-11-5-3-4-6-12(11)9-13;/h3-9,14,17-18H,2,10H2,1H3;/q-1;+1/b18-15-;
InChIKeyDKBBWWCKBSURPC-MWIGPOFTSA-N
MW476.52 g/mol
LogP2.53
Rot. Bonds6

About CID 170722085

CID 170722085 (PubChem CID 170722085) has the molecular formula C16H17N2O2Pb and a molecular weight of 476.52 g/mol.

Molecular Properties

Compound NameCID 170722085
PubChem CID170722085
Molecular FormulaC16H17N2O2Pb
Molecular Weight476.52 g/mol
Exact Mass477.11
IUPAC Name—
SMILES[H]/N=C(/CC(N[Pb])c1ccc2ccccc2c1)C(=O)OCC
InChIInChI=1S/C16H17N2O2.Pb/c1-2-20-16(19)15(18)10-14(17)13-8-7-11-5-3-4-6-12(11)9-13;/h3-9,14,17-18H,2,10H2,1H3;/q-1;+1/b18-15-;
InChIKeyDKBBWWCKBSURPC-MWIGPOFTSA-N
XLogP2.53
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 170722085?
The IUPAC name of CID 170722085 (CID 170722085) is not available.
What is the SMILES notation for CID 170722085?
The canonical SMILES for CID 170722085 is [H]/N=C(/CC(N[Pb])c1ccc2ccccc2c1)C(=O)OCC.
What is the InChIKey of CID 170722085?
The InChIKey is DKBBWWCKBSURPC-MWIGPOFTSA-N. The full InChI is InChI=1S/C16H17N2O2.Pb/c1-2-20-16(19)15(18)10-14(17)13-8-7-11-5-3-4-6-12(11)9-13;/h3-9,14,17-18H,2,10H2,1H3;/q-1;+1/b18-15-;.
What are the key properties of CID 170722085?
CID 170722085 has a molecular weight of 476.52 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170722085 is sourced from PubChem (CID 170722085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).