Chemical ID: 7721834

CC1CC(=O)NN=C1c2ccc3c(c2)[nH]c(n3)COc4ccccc4O
Chemical ID:
7721834
Name [?]:
None
SMILES [?]:
CC1CC(=O)NN=C1c2ccc3c(c2)[nH]c(n3)COc4ccccc4O
InChi [?]:
InChI=1/C19H18N4O3/c1-11-8-18(25)22-23-19(11)12-6-7-13-14(9-12)21-17(20-13)10-26-16-5-3-2-4-15(16)24/h2-7,9,11,24H,8,10H2,1H3,(H,20,21)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,10,11,3,14,18,2,9,12,13,25,20,16,4,8,17,15,6,7,26,5,19/rA:26cCCCCONNCCCCCCCNCNCOCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s2d7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N4O3
All Atoms:44
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:8.83162
Area:555.836
Solvation:-5.06427
Coulombic:-59.4229
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.69
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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