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Chemical ID: 7731055
Chemical ID:
7731055
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(cn2CC(=O)N3CCCC3)C(=O)C(=O)N4CCCCCC4
InChi [?]:
InChI=1/C22H27N3O3/c26-20(23-11-7-8-12-23)16-25-15-18(17-9-3-4-10-19(17)25)21(27)22(28)24-13-5-1-2-6-14-24/h3-4,9-10,15H,1-2,5-8,11-14,16H2
InChi Info:
AuxInfo=1/0/N:25,26,1,2,24,27,15,16,6,3,14,17,23,28,8,10,5,7,4,11,18,20,13,22,9,12,19,21/E:(1,2)(5,6)(7,8)(11,12)(13,14)/rA:28nCCCCCCCCNCCONCCCCCOCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;d11;s11;s13;s14;s15;s13s16;s7;d18;s18;d20;s20;s22;s23;s24;s25;s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27N3O3 |
All Atoms: | 55 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.3138 |
Area: | 588.28 |
Solvation: | -3.39324 |
Coulombic: | -51.0607 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.6 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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