CID 172603674

C17H20GaO2 — CID 172603674

IUPAC—
SMILESCc1ccc(O[Ga]Oc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C9H12O.C8H10O.Ga/c1-6-4-7(2)9(10)8(3)5-6;1-6-3-4-8(9)7(2)5-6;/h4-5,10H,1-3H3;3-5,9H,1-2H3;/q;;+2/p-2
InChIKeyVVLODHOSRLNEAN-UHFFFAOYSA-L
MW326.07 g/mol
LogP4.22
Rot. Bonds4

About CID 172603674

CID 172603674 (PubChem CID 172603674) has the molecular formula C17H20GaO2 and a molecular weight of 326.07 g/mol.

Molecular Properties

Compound NameCID 172603674
PubChem CID172603674
Molecular FormulaC17H20GaO2
Molecular Weight326.07 g/mol
Exact Mass325.07
IUPAC Name—
SMILESCc1ccc(O[Ga]Oc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C9H12O.C8H10O.Ga/c1-6-4-7(2)9(10)8(3)5-6;1-6-3-4-8(9)7(2)5-6;/h4-5,10H,1-3H3;3-5,9H,1-2H3;/q;;+2/p-2
InChIKeyVVLODHOSRLNEAN-UHFFFAOYSA-L
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.07
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 172603674 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 172603674?
The IUPAC name of CID 172603674 (CID 172603674) is not available.
What is the SMILES notation for CID 172603674?
The canonical SMILES for CID 172603674 is Cc1ccc(O[Ga]Oc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of CID 172603674?
The InChIKey is VVLODHOSRLNEAN-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H12O.C8H10O.Ga/c1-6-4-7(2)9(10)8(3)5-6;1-6-3-4-8(9)7(2)5-6;/h4-5,10H,1-3H3;3-5,9H,1-2H3;/q;;+2/p-2.
What are the key properties of CID 172603674?
CID 172603674 has a molecular weight of 326.07 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172603674 is sourced from PubChem (CID 172603674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).