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Chemical ID: 5405397
Chemical ID:
5405397
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCC23C(=O)N(C(=O)N3)CC(=O)N4CCCC4
InChi [?]:
InChI=1/C17H19N3O3/c21-14(19-9-3-4-10-19)11-20-15(22)17(18-16(20)23)8-7-12-5-1-2-6-13(12)17/h1-2,5-6H,3-4,7-11H2,(H,18,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,6,3,7,8,20,23,16,5,4,17,10,13,9,15,19,12,18,11,14/E:(3,4)(9,10)/rA:23cCCCCCCCCCCONCONCCONCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s17;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.87967 |
Area: | 495.981 |
Solvation: | -3.51986 |
Coulombic: | -56.4411 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 313.351 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.51 |
LogP (Chemaxon): | 0.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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