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Chemical ID: 5231518
Chemical ID:
5231518
Name [?]:
None
SMILES [?]:
COc1cc2c(cc1OC)-c3cccc4c3N(CC4)CC2
InChi [?]:
InChI=1/C18H19NO2/c1-20-16-10-13-7-9-19-8-6-12-4-3-5-14(18(12)19)15(13)11-17(16)21-2/h3-5,10-11H,6-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,13,14,12,19,21,18,20,4,7,15,5,11,6,3,8,16,17,2,9/rA:21cCOCCCCCCOCCCCCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;d11s15;s16;s17;s15s18;s17;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.26431 |
Area: | 443.93 |
Solvation: | -4.83393 |
Coulombic: | -20.8178 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 281.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.42 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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