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Chemical ID: 6740941
Chemical ID:
6740941
Name [?]:
None
SMILES [?]:
C[NH+]1CCc2c(c3cc(ccc3[nH]2)Cl)C1
InChi [?]:
InChI=1/C12H13ClN2/c1-15-5-4-12-10(7-15)9-6-8(13)2-3-11(9)14-12/h2-3,6,14H,4-5,7H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,11,4,3,8,15,9,7,6,12,5,14,13,2/rA:15cCN+CCCCCCCCCCNClC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;s5s12;s9;s2s6;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14ClN2+ |
All Atoms: | 29 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -22.6054 |
Area: | 381.224 |
Solvation: | -32.136 |
Coulombic: | 19.565 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 221.706 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.32 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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