Molecular Identity
1,5-Diaminoanthraquinone
1,5-diaminoanthracene-9,10-dione
PubChem CID: 8513
2D Structure
Properties
C14H10N2O2
Molecular Formula
238.24
Molecular Weight
g/mol
238.0742
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
86.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
346
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)NIsomeric SMILES
SMILES: C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)NSynonyms(20)
1,5-DIAMINOANTHRAQUINONE129-44-2Smoke Red F9,10-Anthracenedione, 1,5-diamino-C.I. Disperse Red II1,5-Diaminoanthrachinon1,5-Anthraquinonyldiamine1,5-Daa1,5-Diamino-9,10-anthraquinoneAnthraquinone, 1,5-diamino-NSC-7213NSC-637913ZXX3HK358NSC-507213RefChem:417178
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 1,5-Diaminoanthraquinone
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