Compound Summary
HA-1004 hydrochloride
Compound Information
HA-1004 hydrochloride
Compound Name: | HA-1004 hydrochloride |
Compound CID: | 6603862 |
Synonyms: | HA-1004 hydrochloride |
Iupac Name: | [2-(diaminomethylideneamino)ethylamino] isoquinoline-5-sulfinate |
InChI: | InChI=1S/C12H15N5O2S/c13-12(14)16-6-7-17-19-20(18)11-3-1-2-9-8-15-5-4-10(9)11/h1-5,8,17H,6-7H2,(H4,13,14,16) |
InChIKey: | YFKBCWUDSXVTIF-UHFFFAOYSA-N |
Canonical Smiles: | C1=CC2=C(C=CN=C2)C(=C1)S(=O)ONCCN=C(N)N |
Isomeric Smiles: | C1=CC2=C(C=CN=C2)C(=C1)S(=O)ONCCN=C(N)N |
Molecular Weight: | 293.35 |
Molecular Formula: | C12H15N5O2S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
HA-1004 hydrochloride
Molecular Weight: | 293.35 |
Molecular Formula: | C12H15N5O2S |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 20 |
Complexity: | 362 |
Synonyms
HA-1004 hydrochloride
Experimental Data
HA-1004 hydrochloride
Experimental Data Visualization
HA-1004 hydrochloride
Statistics Data
HA-1004 hydrochloride
Statistics Data Visualization
HA-1004 hydrochloride
