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Chemical ID: 6176411
Chemical ID:
6176411
Name [?]:
None
SMILES [?]:
Cc1cn2c([nH+]1)-c3ccccc3C2
InChi [?]:
InChI=1/C11H10N2/c1-8-6-13-7-9-4-2-3-5-10(9)11(13)12-8/h2-6H,7H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,9,11,8,3,13,2,12,7,5,6,4/rA:13nCCCNCN+CCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s9;d10;d7s11;s4s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N2+ |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.2895 |
Area: | 329.445 |
Solvation: | -30.5256 |
Coulombic: | -3.70287 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 171.219 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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