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Chemical ID: 5849468
Chemical ID:
5849468
Name [?]:
None
SMILES [?]:
CCCC(=O)N1c2ccccc2NC3=C(C1c4c(cccc4Cl)Cl)C(=O)CCC3
InChi [?]:
InChI=1/C23H22Cl2N2O2/c1-2-7-20(29)27-18-12-4-3-10-16(18)26-17-11-6-13-19(28)22(17)23(27)21-14(24)8-5-9-15(21)25/h3-5,8-10,12,23,26H,2,6-7,11,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,20,28,3,19,21,11,29,8,27,18,22,12,14,7,25,4,17,15,16,24,23,13,6,26,5/E:(8,9)(14,15)(24,25)/rA:29cCCCCONCCCCCCNCCCCCCCCCClClCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;d14;s6s15;s16;s17;d18;s19;d20;d17s21;s22;s18;s15;d25;s25;s27;s14s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22Cl2N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1675 |
Area: | 557.314 |
Solvation: | -2.76532 |
Coulombic: | -36.6478 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 429.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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