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Chemical ID: 5222497
Chemical ID:
5222497
Name [?]:
None
SMILES [?]:
COC(=O)C1Cc2c3ccccc3[nH]c2C4N1C(=O)CC4
InChi [?]:
InChI=1/C16H16N2O3/c1-21-16(20)13-8-10-9-4-2-3-5-11(9)17-15(10)12-6-7-14(19)18(12)13/h2-5,12-13,17H,6-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,9,12,21,20,6,8,7,13,16,5,18,15,3,14,17,19,4,2/rA:21cCOCOCCCCCCCCCNCCNCOCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d7s14;s15;s5s16;s17;d18;s18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.02045 |
Area: | 451.283 |
Solvation: | -3.26163 |
Coulombic: | -45.7366 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 284.31 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.38 |
LogP (Chemaxon): | 1.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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