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Chemical ID: 5849469
Chemical ID:
5849469
Name [?]:
None
SMILES [?]:
CCCCC(=O)N1c2ccccc2NC3=C(C1c4c(cccc4Cl)Cl)C(=O)CCC3
InChi [?]:
InChI=1/C24H24Cl2N2O2/c1-2-3-14-21(30)28-19-12-5-4-10-17(19)27-18-11-7-13-20(29)23(18)24(28)22-15(25)8-6-9-16(22)26/h4-6,8-10,12,24,27H,2-3,7,11,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,11,10,21,29,20,22,12,30,9,28,4,19,23,13,15,8,26,5,18,16,17,25,24,14,7,27,6/E:(8,9)(15,16)(25,26)/rA:30cCCCCCONCCCCCCNCCCCCCCCCClClCOCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s7s16;s17;s18;d19;s20;d21;d18s22;s23;s19;s16;d26;s26;s28;s15s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24Cl2N2O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7733 |
Area: | 581.805 |
Solvation: | -2.77184 |
Coulombic: | -36.951 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 443.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.35 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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