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Chemical ID: 6536224
Chemical ID:
6536224
Name [?]:
8-(2-furyl)-7,9,10-triazabicyclo[5.3.0]deca-8,10-diene
SMILES [?]:
c1cc(oc1)c2nnc3n2CCCCC3
InChi [?]:
InChI=1/C11H13N3O/c1-2-6-10-12-13-11(14(10)7-3-1)9-5-4-8-15-9/h4-5,8H,1-3,6-7H2
InChi Info:
AuxInfo=1/0/N:13,14,12,1,2,15,11,5,3,9,6,8,7,10,4/rA:15nCCCOCCNNCNCCCCC/rB:s1;d2;s3;d1s4;s3;d6;s7;d8;s6s9;s10;s11;s12;s13;s9s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13N3O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08394 |
Area: | 360.992 |
Solvation: | -1.94085 |
Coulombic: | -18.9939 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 203.241 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.94 |
LogP (Chemaxon): | 1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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