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Chemical ID: 4664257
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
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Experimental Annotations
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Descriptor Annotations
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