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Chemical ID: 7513407
Chemical ID:
7513407
Name [?]:
1-pyrazin-2-ylazepane
SMILES [?]:
c1cnc(cn1)N2CCCCCC2
InChi [?]:
InChI=1/C10H15N3/c1-2-4-8-13(7-3-1)10-9-11-5-6-12-10/h5-6,9H,1-4,7-8H2
InChi Info:
AuxInfo=1/0/N:10,11,9,12,1,2,8,13,5,4,6,3,7/E:(1,2)(3,4)(7,8)/rA:13nCCNCCNNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s7s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15N3 |
All Atoms: | 28 |
Heavy Atoms: | 13 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.67201 |
Area: | 336.248 |
Solvation: | -1.7342 |
Coulombic: | -17.0023 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.16 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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