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Chemical ID: 7707583
Chemical ID:
7707583
Name [?]:
None
SMILES [?]:
CC(C(=O)NN=Cc1cccc(c1)OCc2ccc(cc2)Cl)Oc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C29H25ClN2O3/c1-21(35-27-16-12-25(13-17-27)24-7-3-2-4-8-24)29(33)32-31-19-23-6-5-9-28(18-23)34-20-22-10-14-26(30)15-11-22/h2-19,21H,20H2,1H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,33,32,34,10,9,31,35,11,17,21,26,28,18,20,25,29,13,7,15,2,16,8,30,27,19,24,12,3,22,6,5,4,14,23/E:(3,4)(7,8)(10,11)(12,13)(14,15)(16,17)/rA:35cCCCONNCCCCCCCOCCCCCCCClOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s2;s23;s24;d25;s26;d27;d24s28;s27;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H25ClN2O3 |
All Atoms: | 60 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.5618 |
Area: | 775.906 |
Solvation: | -6.83587 |
Coulombic: | -38.0317 |
Bond Count [?]
All: | 38 |
Single: | 24 |
Double: | 14 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 8.39 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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