Chemical ID: 7702886

CCCOc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2O)O
Chemical ID:
7702886
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2O)O
InChi [?]:
InChI=1/C19H21N3O5/c1-2-9-27-16-7-4-13(5-8-16)19(26)20-12-18(25)22-21-11-14-3-6-15(23)10-17(14)24/h3-8,10-11,23-24H,2,9,12H2,1H3,(H,20,26)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,21,7,9,22,6,10,3,24,19,14,8,20,23,5,25,15,11,13,18,17,27,26,16,12,4/E:(4,5)(7,8)/rA:27nCCCOCCCCCCCONCCONNCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N3O5
All Atoms:48
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:8.15981
Area:628.171
Solvation:-7.54447
Coulombic:-77.96
Bond Count [?]
All:28
Single:19
Double:9
Rotors:10
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.05
LogP (Chemaxon):None

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Descriptor Annotations

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