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Chemical ID: 5244541
Chemical ID:
5244541
Name [?]:
None
SMILES [?]:
CC1(c2ccccc2NC(=O)c3c1cc(nn3)C(=O)OC)C
InChi [?]:
InChI=1/C16H15N3O3/c1-16(2)9-6-4-5-7-11(9)17-14(20)13-10(16)8-12(18-19-13)15(21)22-3/h4-8H,1-3H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,22,21,5,6,4,7,14,3,13,8,15,12,10,18,2,9,16,17,11,19,20/E:(1,2)/rA:22nCCCCCCCCNCOCCCCNNCOOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s2s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N3O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.50986 |
Area: | 466.471 |
Solvation: | -3.15191 |
Coulombic: | -46.6448 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 297.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.1 |
LogP (Chemaxon): | 1.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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