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Chemical ID: 4834364
Chemical ID:
4834364
Name [?]:
None
SMILES [?]:
c1cc(c(cc1Cl)Cl)C(=O)NCC23CC4CCC(C2)CC(C4)C3
InChi [?]:
InChI=1/C19H23Cl2NO/c20-15-3-4-16(17(21)7-15)18(23)22-11-19-8-12-1-2-13(9-19)6-14(5-12)10-19/h3-4,7,12-14H,1-2,5-6,8-11H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:16,17,1,2,22,20,5,14,19,23,12,15,18,21,6,3,4,9,13,7,8,11,10/E:(1,2)(5,6)(8,9)(12,13)/rA:23cCCCCCCClClCONCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s9;s11;s12;s13;s14;s15;s16;s17;s13s18;s18;s20;s15s21;s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23Cl2NO |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.2723 |
Area: | 521.361 |
Solvation: | -1.7617 |
Coulombic: | -24.2265 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 352.297 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.92 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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