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Chemical ID: 5612996
Chemical ID:
5612996
Name [?]:
None
SMILES [?]:
CCOc1ccccc1N(CCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccccc5Cl
InChi [?]:
InChI=1/C29H23ClN2O4/c1-2-36-25-16-6-5-15-24(25)31(27(33)20-11-3-4-14-23(20)30)17-18-32-28(34)21-12-7-9-19-10-8-13-22(26(19)21)29(32)35/h3-16H,2,17-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,32,33,7,6,18,24,19,25,31,17,23,34,8,5,11,12,20,30,16,22,35,9,4,21,28,14,26,36,10,13,29,15,27,3/E:(7,8)(9,10)(12,13)(21,22)(28,29)(34,35)/rA:36nCCOCCCCCCNCCNCOCCCCCCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s13s22;d26;s10;d28;s28;s30;d31;s32;d33;d30s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H23ClN2O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1115 |
Area: | 676.089 |
Solvation: | -4.79074 |
Coulombic: | -54.7091 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 498.957 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 6.28 |
LogP (Chemaxon): | 4.93 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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