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Chemical ID: 4253439
Chemical ID:
4253439
Name [?]:
3-(4-methoxyphenyl)morpholine
SMILES [?]:
COc1ccc(cc1)C2COCCN2
InChi [?]:
InChI=1/C11H15NO2/c1-13-10-4-2-9(3-5-10)11-8-14-7-6-12-11/h2-5,11-12H,6-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,13,12,10,6,3,9,14,2,11/E:(2,3)(4,5)/rA:14cCOCCCCCCCCOCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.60681 |
Area: | 362.706 |
Solvation: | -3.46084 |
Coulombic: | -25.0395 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 193.242 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.15 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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