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Chemical ID: 7668072
Chemical ID:
7668072
Name [?]:
None
SMILES [?]:
CCCCN(c1ccc(cc1)C(=O)O)C(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C18H19ClN2O3/c1-2-3-12-21(14-10-8-13(9-11-14)17(22)23)18(24)20-16-7-5-4-6-15(16)19/h4-11H,2-3,12H2,1H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,21,20,22,19,8,10,7,11,4,9,6,23,18,12,15,24,17,5,13,14,16/E:(8,9)(10,11)(22,23)/rA:24nCCCCNCCCCCCCOOCONCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s5;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN2O3 |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.6631 |
Area: | 564.489 |
Solvation: | -2.44915 |
Coulombic: | -60.1346 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.21 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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