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Chemical ID: 6046990
Chemical ID:
6046990
Name [?]:
None
SMILES [?]:
Cn1c2ccc3c(c2nc1N(C)C)cccn3
InChi [?]:
InChI=1/C13H14N4/c1-16(2)13-15-12-9-5-4-8-14-10(9)6-7-11(12)17(13)3/h4-8H,1-3H3
InChi Info:
AuxInfo=1/0/N:12,13,1,15,14,5,4,16,7,6,3,8,10,17,9,11,2/E:(1,2)/rA:17nCNCCCCCCNCNCCCCCN/rB:s1;s2;s3;d4;s5;s6;d3s7;s8;s2d9;s10;s11;s11;d7;s14;d15;d6s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.67235 |
Area: | 392.095 |
Solvation: | -2.13003 |
Coulombic: | -24.4367 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 226.277 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.42 |
LogP (Chemaxon): | 3.06 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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