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Chemical ID: 4710054
Chemical ID:
4710054
Name [?]:
None
SMILES [?]:
c1coc2c1-c3c(cnc(n3)N)CC2
InChi [?]:
InChI=1/C10H9N3O/c11-10-12-5-6-1-2-8-7(3-4-14-8)9(6)13-10/h3-5H,1-2H2,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:13,14,1,2,8,7,5,4,6,10,12,9,11,3/rA:14nCCOCCCCCNCNNCC/rB:d1;s2;s3;s1d4;s5;s6;d7;s8;d9;d6s10;s10;s7;s4s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N3O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.03277 |
Area: | 337.262 |
Solvation: | -2.39878 |
Coulombic: | -33.453 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 187.198 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 0.19 |
LogP (Chemaxon): | 1.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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