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Chemical ID: 6298025
Chemical ID:
6298025
Name [?]:
1-[5-(2,3-dichlorophenoxy)pentyl]pyrrolidine
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)OCCCCCN2CCCC2
InChi [?]:
InChI=1/C15H21Cl2NO/c16-13-7-6-8-14(15(13)17)19-12-5-1-2-9-18-10-3-4-11-18/h6-8H,1-5,9-12H2
InChi Info:
AuxInfo=1/0/N:12,13,17,18,11,1,6,2,14,16,19,10,5,3,4,7,8,15,9/E:(3,4)(10,11)/rA:19nCCCCCCClClOCCCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;s10;s11;s12;s13;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21Cl2NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4848 |
Area: | 521.229 |
Solvation: | -2.54588 |
Coulombic: | -14.6092 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 302.239 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.61 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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