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Chemical ID: 4471088
Chemical ID:
4471088
Name [?]:
1-[2-(4-cyclopentylaminobutoxy)phenyl]propan-1-one
SMILES [?]:
CCC(=O)c1ccccc1OCCCCNC2CCCC2
InChi [?]:
InChI=1/C18H27NO2/c1-2-17(20)16-11-5-6-12-18(16)21-14-8-7-13-19-15-9-3-4-10-15/h5-6,11-12,15,19H,2-4,7-10,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,20,7,8,14,13,18,21,6,9,15,12,17,5,3,10,16,4,11/E:(3,4)(9,10)/rA:21nCCCOCCCCCCOCCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H27NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.33335 |
Area: | 538.037 |
Solvation: | -4.11759 |
Coulombic: | -24.2018 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 289.413 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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