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Chemical ID: 7570681
Chemical ID:
7570681
Name [?]:
None
SMILES [?]:
CCC[NH+]1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O
InChi [?]:
InChI=1/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,9,8,10,20,19,6,3,5,14,7,15,11,13,18,12,16,17,4,21,22/rA:22cCCCN+CCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s11s15;d16;s17;d18;d15s19;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22NO2+ |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -20.8151 |
Area: | 462.769 |
Solvation: | -32.3843 |
Coulombic: | -3.2019 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.91 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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