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Chemical ID: 7655381
Chemical ID:
7655381
Name [?]:
None
SMILES [?]:
CC(=CCNc1c-2ncnc2nc[nH]1)CO
InChi [?]:
InChI=1/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,15,9,13,2,7,6,11,5,8,10,14,12,16/rA:16nCCCCNCCNCNCNCNCO/rB:s1;w2;s3;s4;s5;d6;s7;d8;s9;s7d10;s11;d12;s6s13;s2;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N5O |
All Atoms: | 29 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.09133 |
Area: | 409.396 |
Solvation: | -3.14358 |
Coulombic: | -56.2601 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.76 |
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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