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Chemical ID: 7299483
Chemical ID:
7299483
Name [?]:
1-(2,6-dichlorophenoxy)-3-dipropylamino-propan-2-ol
SMILES [?]:
CCCN(CCC)CC(COc1c(cccc1Cl)Cl)O
InChi [?]:
InChI=1/C15H23Cl2NO2/c1-3-8-18(9-4-2)10-12(19)11-20-15-13(16)6-5-7-14(15)17/h5-7,12,19H,3-4,8-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,15,14,16,3,5,8,10,9,13,17,12,19,18,4,20,11/E:(1,2)(3,4)(6,7)(8,9)(13,14)(16,17)/rA:20cCCCNCCCCCCOCCCCCCClClO/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s13;s9;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23Cl2NO2 |
All Atoms: | 43 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.28397 |
Area: | 541.393 |
Solvation: | -4.25085 |
Coulombic: | -31.3256 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 320.254 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.92 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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