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Chemical ID: 4792303
Chemical ID:
4792303
Name [?]:
None
SMILES [?]:
CCCCN1C(=O)c2c(c(=O)c3cc(ccc3o2)Cl)C14c5ccccc5N(C4=O)CC
InChi [?]:
InChI=1/C24H21ClN2O4/c1-3-5-12-27-22(29)21-19(20(28)15-13-14(25)10-11-18(15)31-21)24(27)16-8-6-7-9-17(16)26(4-2)23(24)30/h6-11,13H,3-5,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,30,3,23,24,22,25,15,16,4,13,14,12,21,26,17,9,10,8,6,28,20,19,27,5,11,7,29,18/rA:31cCCCCNCOCCCOCCCCCCOClCCCCCCCNCOCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s14;s5s9;s20;s21;d22;s23;d24;d21s25;s26;s20s27;d28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21ClN2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.0169 |
Area: | 624.58 |
Solvation: | -3.59761 |
Coulombic: | -52.6408 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 436.887 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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