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Chemical ID: 7698103
Chemical ID:
7698103
Name [?]:
None
SMILES [?]:
Cc1c(c(n(n1)c2ccccc2)C)N
InChi [?]:
InChI=1/C11H13N3/c1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,10,9,11,8,12,2,4,7,3,14,6,5/E:(4,5)(6,7)/rA:14nCCCCNNCCCCCCCN/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s4;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13N3 |
All Atoms: | 27 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.32832 |
Area: | 360.862 |
Solvation: | -1.69324 |
Coulombic: | -21.9182 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.05 |
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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