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Chemical ID: 3961991
Chemical ID:
3961991
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)N3CCCC3C(=O)N2CC(=O)N4CCCC4
InChi [?]:
InChI=1/C18H21N3O3/c22-16(19-9-3-4-10-19)12-21-14-7-2-1-6-13(14)17(23)20-11-5-8-15(20)18(21)24/h1-2,6-7,15H,3-5,8-12H2
InChi Info:
AuxInfo=1/0/N:1,2,22,23,11,6,3,12,21,24,10,17,5,4,13,18,7,14,20,9,16,19,8,15/E:(3,4)(9,10)/rA:24cCCCCCCCONCCCCCONCCONCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s9s12;s13;d14;s4s14;s16;s17;d18;s18;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.92481 |
Area: | 499.602 |
Solvation: | -3.56523 |
Coulombic: | -50.0856 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 327.378 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.86 |
LogP (Chemaxon): | 0.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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