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Chemical ID: 5290681
Chemical ID:
5290681
Name [?]:
None
SMILES [?]:
CC1(c2ccccc2N3C1(NC(=O)CC3)C=Cc4ccc(c(c4)OC)OCc5ccccc5Cl)C
InChi [?]:
InChI=1/C29H29ClN2O3/c1-28(2)22-9-5-7-11-24(22)32-17-15-27(33)31-29(28,32)16-14-20-12-13-25(26(18-20)34-3)35-19-21-8-4-6-10-23(21)30/h4-14,16,18H,15,17,19H2,1-3H3,(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,35,25,30,5,31,6,29,4,32,7,19,20,17,14,16,15,23,27,18,28,3,33,8,21,22,12,2,10,34,11,9,13,24,26/E:(1,2)/rA:35cCCCCCCCCNCNCOCCCCCCCCCCOCOCCCCCCCClC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;s10;s11;d12;s12;s9s14;s10;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s28;d29;s30;d31;d28s32;s33;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H29ClN2O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.2723 |
Area: | 665.416 |
Solvation: | -6.36311 |
Coulombic: | -44.991 |
Bond Count [?]
All: | 39 |
Single: | 28 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 489.005 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.82 |
LogP (Chemaxon): | 7.14 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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