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Chemical ID: 4105439
Chemical ID:
4105439
Name [?]:
None
SMILES [?]:
CC1(COC2(c3ccccc3N(C2=O)CN4CCCCC4)OC1)C
InChi [?]:
InChI=1/C19H26N2O3/c1-18(2)12-23-19(24-13-18)15-8-4-5-9-16(15)21(17(19)22)14-20-10-6-3-7-11-20/h4-5,8-9H,3,6-7,10-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,19,8,9,18,20,7,10,17,21,3,23,15,6,11,13,2,5,16,12,14,4,22/E:(1,2)(6,7)(10,11)(12,13)(23,24)/rA:24nCCCOCCCCCCCNCOCNCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;d13;s12;s15;s16;s17;s18;s19;s16s20;s5;s2s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.76371 |
Area: | 501.53 |
Solvation: | -2.77454 |
Coulombic: | -45.7389 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 330.421 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.19 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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