CID 153410783

C20H17InNO4 — CID 153410783

IUPAC—
SMILESCOc1cccc(Nc2ccccc2CC(=O)C2=C[In]C(C(=O)O)=C2)c1
InChIInChI=1S/C20H17NO4.In/c1-14(10-11-20(23)24)19(22)12-15-6-3-4-9-18(15)21-16-7-5-8-17(13-16)25-2;/h1,3-10,13,21H,12H2,2H3,(H,23,24);
InChIKeyWGDGJTUXMZWGFO-UHFFFAOYSA-N
MW450.18 g/mol
LogP3.12
Rot. Bonds7

About CID 153410783

CID 153410783 (PubChem CID 153410783) has the molecular formula C20H17InNO4 and a molecular weight of 450.18 g/mol.

Molecular Properties

Compound NameCID 153410783
PubChem CID153410783
Molecular FormulaC20H17InNO4
Molecular Weight450.18 g/mol
Exact Mass450.02
IUPAC Name—
SMILESCOc1cccc(Nc2ccccc2CC(=O)C2=C[In]C(C(=O)O)=C2)c1
InChIInChI=1S/C20H17NO4.In/c1-14(10-11-20(23)24)19(22)12-15-6-3-4-9-18(15)21-16-7-5-8-17(13-16)25-2;/h1,3-10,13,21H,12H2,2H3,(H,23,24);
InChIKeyWGDGJTUXMZWGFO-UHFFFAOYSA-N
XLogP3.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.18
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 153410783?
The IUPAC name of CID 153410783 (CID 153410783) is not available.
What is the SMILES notation for CID 153410783?
The canonical SMILES for CID 153410783 is COc1cccc(Nc2ccccc2CC(=O)C2=C[In]C(C(=O)O)=C2)c1.
What is the InChIKey of CID 153410783?
The InChIKey is WGDGJTUXMZWGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4.In/c1-14(10-11-20(23)24)19(22)12-15-6-3-4-9-18(15)21-16-7-5-8-17(13-16)25-2;/h1,3-10,13,21H,12H2,2H3,(H,23,24);.
What are the key properties of CID 153410783?
CID 153410783 has a molecular weight of 450.18 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153410783 is sourced from PubChem (CID 153410783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).