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Chemical ID: 7699166
Chemical ID:
7699166
Name [?]:
None
SMILES [?]:
C1CCC(=C(C#N)c2nnc3n2CCCC3)NCC1
InChi [?]:
InChI=1/C14H19N5/c15-10-11(12-6-2-1-4-8-16-12)14-18-17-13-7-3-5-9-19(13)14/h16H,1-9H2
InChi Info:
AuxInfo=1/0/N:1,2,15,19,14,3,16,18,13,6,5,4,11,8,7,17,10,9,12/rA:19nCCCCCCNCNNCNCCCCNCC/rB:s1;s2;s3;w4;s5;t6;s5;d8;s9;d10;s8s11;s12;s13;s14;s11s15;s4;s17;s1s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N5 |
All Atoms: | 38 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.01669 |
Area: | 424.249 |
Solvation: | -1.58953 |
Coulombic: | -25.7416 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 3 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.74 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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