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Chemical ID: 4579205
Chemical ID:
4579205
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3ccc4c(c3oc2=O)CN(CO4)Cc5ccc(cc5)Cl
InChi [?]:
InChI=1/C22H16ClNO3/c23-15-7-5-14(6-8-15)11-24-12-19-20(26-13-24)10-9-17-16-3-1-2-4-18(16)22(25)27-21(17)19/h1-10H,11-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,22,26,23,25,8,9,20,16,18,21,24,5,7,4,11,10,12,14,27,17,15,19,13/E:(5,6)(7,8)/rA:27cCCCCCCCCCCCCOCOCNCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s12;s4s13;d14;s11;s16;s17;s10s18;s17;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16ClNO3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5661 |
Area: | 568.249 |
Solvation: | -3.64013 |
Coulombic: | -34.5989 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 377.82 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.37 |
LogP (Chemaxon): | 5.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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