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Chemical ID: 5194091
Chemical ID:
5194091
Name [?]:
N-[3-(4-aminophenoxy)propyl]acetamide
SMILES [?]:
CC(=O)NCCCOc1ccc(cc1)N
InChi [?]:
InChI=1/C11H16N2O2/c1-9(14)13-7-2-8-15-11-5-3-10(12)4-6-11/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,11,13,10,14,5,7,2,12,9,15,4,3,8/E:(3,4)(5,6)/rA:15nCCONCCCOCCCCCCN/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.0859 |
Area: | 419.923 |
Solvation: | -3.41218 |
Coulombic: | -43.3723 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 208.257 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.98 |
LogP (Chemaxon): | 0.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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