ChemDB: Chemical Search
Download
Chemical ID: 6671773
Chemical ID:
6671773
Name [?]:
6-guanidinohexanoic acid
SMILES [?]:
C(CCC(=O)O)CCNC(=N)N
InChi [?]:
InChI=1/C7H15N3O2/c8-7(9)10-5-3-1-2-4-6(11)12/h1-5H2,(H,11,12)(H4,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,7,3,8,4,10,11,12,9,5,6/E:(8,9)(11,12)/rA:12nCCCCOOCCNCNN/rB:s1;s2;s3;d4;s4;s1;s7;s8;s9;w10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H15N3O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.76622 |
Area: | 380.467 |
Solvation: | -2.74546 |
Coulombic: | -64.7578 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 173.213 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 5 |
XLogP: | 0.43 |
LogP (Chemaxon): | -3.64 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|