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Chemical ID: 7533341
Chemical ID:
7533341
Name [?]:
2-(2-methylphenoxy)-1-pyrrolidin-1-yl-propan-1-one
SMILES [?]:
Cc1ccccc1OC(C)C(=O)N2CCCC2
InChi [?]:
InChI=1/C14H19NO2/c1-11-7-3-4-8-13(11)17-12(2)14(16)15-9-5-6-10-15/h3-4,7-8,12H,5-6,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,4,5,15,16,3,6,14,17,2,9,7,11,13,12,8/E:(5,6)(9,10)/rA:17cCCCCCCCOCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s9;d11;s11;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO2 |
All Atoms: | 36 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.06621 |
Area: | 421.106 |
Solvation: | -3.46145 |
Coulombic: | -24.986 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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