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Chemical ID: 6496586
Chemical ID:
6496586
Name [?]:
None
SMILES [?]:
C[NH+]1C=CC2c3ccccc3C(C2=C1)c4ccccc4
InChi [?]:
InChI=1/C19H17N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-13,16,19H,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,18,17,19,8,9,16,20,7,10,4,3,14,15,6,5,11,13,12,2/E:(3,4)(7,8)/rA:20cCN+CCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;s2d13;s12;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N+ |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | -20.2575 |
Area: | 441.559 |
Solvation: | -31.2965 |
Coulombic: | 24.8857 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 260.353 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.29 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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