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Chemical ID: 4912352
Chemical ID:
4912352
Name [?]:
1-methoxy-N-(1,3,6-triazabicyclo[3.3.0]octa-2,5,7-trien-7-yl)methanimine
SMILES [?]:
COC=Nc1cn2c(n1)CN=C2
InChi [?]:
InChI=1/C7H8N4O/c1-12-5-9-6-3-11-4-8-2-7(11)10-6/h3-5H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,6,12,3,5,8,11,4,9,7,2/rA:12nCOCNCCNCNCNC/rB:s1;s2;w3;s4;d5;s6;s7;s5d8;s8;s10;s7d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8N4O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.5459 |
Area: | 322.925 |
Solvation: | -3.52723 |
Coulombic: | -27.5548 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.165 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | -0.42 |
LogP (Chemaxon): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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