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Chemical ID: 7703894
Chemical ID:
7703894
Name [?]:
None
SMILES [?]:
CC(C(=O)NN=Cc1cccc(c1)OC(=O)c2ccc(cc2)Cl)Oc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C29H23ClN2O4/c1-20(35-26-16-12-23(13-17-26)22-7-3-2-4-8-22)28(33)32-31-19-21-6-5-9-27(18-21)36-29(34)24-10-14-25(30)15-11-24/h2-20H,1H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,34,33,35,10,9,32,36,11,18,22,27,29,19,21,26,30,13,7,2,8,31,28,17,20,25,12,3,15,23,6,5,4,16,24,14/E:(3,4)(7,8)(10,11)(12,13)(14,15)(16,17)/rA:36cCCCONNCCCCCCCOCOCCCCCCClOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s2;s24;s25;d26;s27;d28;d25s29;s28;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H23ClN2O4 |
All Atoms: | 59 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.4807 |
Area: | 782.375 |
Solvation: | -6.07863 |
Coulombic: | -49.8724 |
Bond Count [?]
All: | 39 |
Single: | 24 |
Double: | 15 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 8.27 |
LogP (Chemaxon): | None |
Name Annotations
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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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