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Chemical ID: 7570677
Chemical ID:
7570677
Name [?]:
None
SMILES [?]:
CC[NH+]1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O
InChi [?]:
InChI=1/C18H19NO2/c1-2-19-9-8-11-4-3-5-13-16(11)14(19)10-12-6-7-15(20)18(21)17(12)13/h3-7,14,20-21H,2,8-10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,8,7,9,19,18,5,4,13,6,14,10,12,17,11,15,16,3,20,21/rA:21cCCN+CCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s3s11;s12;s13;s10s14;d15;s16;d17;d14s18;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20NO2+ |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -21.6533 |
Area: | 434.384 |
Solvation: | -32.5129 |
Coulombic: | -2.77313 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.55 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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