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Chemical ID: 7061735
Chemical ID:
7061735
Name [?]:
4-[3-(2-chlorophenoxy)propyl]morpholine
SMILES [?]:
c1ccc(c(c1)OCCCN2CCOCC2)Cl
InChi [?]:
InChI=1/C13H18ClNO2/c14-12-4-1-2-5-13(12)17-9-3-6-15-7-10-16-11-8-15/h1-2,4-5H,3,6-11H2
InChi Info:
AuxInfo=1/0/N:2,1,9,3,6,10,12,16,8,13,15,4,5,17,11,14,7/E:(7,8)(10,11)/rA:17nCCCCCCOCCCNCCOCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18ClNO2 |
All Atoms: | 35 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55083 |
Area: | 454.374 |
Solvation: | -3.80853 |
Coulombic: | -21.8848 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.74 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.37 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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