CID 18684228

C19H14GaN3O — CID 18684228

IUPAC—
SMILESCc1cnc2c(c1)nc(-c1ccccc1O[Ga])n2-c1ccccc1
InChIInChI=1S/C19H15N3O.Ga/c1-13-11-16-19(20-12-13)22(14-7-3-2-4-8-14)18(21-16)15-9-5-6-10-17(15)23;/h2-12,23H,1H3;/q;+1/p-1
InChIKeyKMINGEQBTNEPAD-UHFFFAOYSA-M
MW370.06 g/mol
LogP3.86
Rot. Bonds3

About CID 18684228

CID 18684228 (PubChem CID 18684228) has the molecular formula C19H14GaN3O and a molecular weight of 370.06 g/mol.

Molecular Properties

Compound NameCID 18684228
PubChem CID18684228
Molecular FormulaC19H14GaN3O
Molecular Weight370.06 g/mol
Exact Mass369.04
IUPAC Name—
SMILESCc1cnc2c(c1)nc(-c1ccccc1O[Ga])n2-c1ccccc1
InChIInChI=1S/C19H15N3O.Ga/c1-13-11-16-19(20-12-13)22(14-7-3-2-4-8-14)18(21-16)15-9-5-6-10-17(15)23;/h2-12,23H,1H3;/q;+1/p-1
InChIKeyKMINGEQBTNEPAD-UHFFFAOYSA-M
XLogP3.86
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.06
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 18684228?
The IUPAC name of CID 18684228 (CID 18684228) is not available.
What is the SMILES notation for CID 18684228?
The canonical SMILES for CID 18684228 is Cc1cnc2c(c1)nc(-c1ccccc1O[Ga])n2-c1ccccc1.
What is the InChIKey of CID 18684228?
The InChIKey is KMINGEQBTNEPAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15N3O.Ga/c1-13-11-16-19(20-12-13)22(14-7-3-2-4-8-14)18(21-16)15-9-5-6-10-17(15)23;/h2-12,23H,1H3;/q;+1/p-1.
What are the key properties of CID 18684228?
CID 18684228 has a molecular weight of 370.06 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18684228 is sourced from PubChem (CID 18684228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).