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Chemical ID: 4795406
Chemical ID:
4795406
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccccc6)Cl
InChi [?]:
InChI=1/C27H19ClN2O4/c1-2-29-20-11-7-6-10-19(20)27(26(29)33)22-23(31)18-14-17(28)12-13-21(18)34-24(22)25(32)30(27)15-16-8-4-3-5-9-16/h3-14H,2,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,31,30,32,7,6,29,33,8,5,19,20,17,27,28,18,16,9,4,21,13,14,23,24,11,10,34,3,26,15,25,12,22/E:(4,5)(8,9)/rA:34cCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s10s24;s26;s27;s28;d29;s30;d31;d28s32;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H19ClN2O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7328 |
Area: | 631.324 |
Solvation: | -4.05031 |
Coulombic: | -53.3371 |
Bond Count [?]
All: | 39 |
Single: | 26 |
Double: | 13 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 470.904 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.29 |
LogP (Chemaxon): | 4.1 |
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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