Chemical ID: 4664257

c1ccc2c(c1)OCC(O2)CNC(=N)N
Chemical ID:
4664257
Name [?]:
1-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-3-ylmethyl)guanidine
SMILES [?]:
c1ccc2c(c1)OCC(O2)CNC(=N)N
InChi [?]:
InChI=1/C10H13N3O2/c11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7/h1-4,7H,5-6H2,(H4,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,8,9,5,4,13,14,15,12,7,10/E:(11,12)/rA:15cCCCCCCOCCOCNCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;s11;s12;w13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N3O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.12961
Area:382.992
Solvation:-3.44519
Coulombic:-56.2767
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:207.229
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:1.29
LogP (Chemaxon):0.88

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue