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Chemical ID: 4981772
Chemical ID:
4981772
Name [?]:
1-(3,6-dimethylpyrazin-2-yl)-1,4-diazepane
SMILES [?]:
Cc1cnc(c(n1)N2CCCNCC2)C
InChi [?]:
InChI=1/C11H18N4/c1-9-8-13-10(2)11(14-9)15-6-3-4-12-5-7-15/h8,12H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,10,11,13,9,14,3,2,5,6,12,4,7,8/rA:15cCCCNCCNNCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s8s13;s5;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18N4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.29823 |
Area: | 370.561 |
Solvation: | -1.96579 |
Coulombic: | -25.0327 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 206.288 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.33 |
LogP (Chemaxon): | 0.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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