Chemical ID: 6536224

c1cc(oc1)c2nnc3n2CCCCC3
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

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Descriptor Annotations

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