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Chemical ID: 5869136
Chemical ID:
5869136
Name [?]:
(3-ethoxy-4-methoxy-phenyl)-pyrrolidin-1-yl-methanone
SMILES [?]:
CCOc1cc(ccc1OC)C(=O)N2CCCC2
InChi [?]:
InChI=1/C14H19NO3/c1-3-18-13-10-11(6-7-12(13)17-2)14(16)15-8-4-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,16,17,7,8,15,18,5,6,9,4,12,14,13,10,3/E:(4,5)(8,9)/rA:18nCCOCCCCCCOCCONCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;d12;s12;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.12193 |
Area: | 439.989 |
Solvation: | -4.8778 |
Coulombic: | -31.0155 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.06 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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