Chemical ID: 6671773

C(CCC(=O)O)CCNC(=N)N
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

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Descriptor Annotations

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