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Chemical ID: 6913025
Chemical ID:
6913025
Name [?]:
None
SMILES [?]:
c1cc(ccc1c2cc3c(c(c2)Cl)NC(=O)NC34CCCCC4)C(=O)O
InChi [?]:
InChI=1/C20H19ClN2O3/c21-16-11-14(12-4-6-13(7-5-12)18(24)25)10-15-17(16)22-19(26)23-20(15)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,24,25)(H2,22,23,26)
InChi Info:
AuxInfo=1/1/N:21,20,22,1,5,2,4,19,23,8,12,6,3,7,9,11,10,24,15,18,13,14,17,25,26,16/E:(2,3)(4,5)(6,7)(8,9)(24,25)/rA:26nCCCCCCCCCCCCClNCONCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;d7s11;s11;s10;s14;d15;s15;s9s17;s18;s19;s20;s21;s18s22;s3;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN2O3 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2806 |
Area: | 559.829 |
Solvation: | -2.71513 |
Coulombic: | -64.3699 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 370.829 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 4.36 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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