Chemical ID: 7216819

Cc1cc(cc(c1Cl)C)OCc2nc3c4cnn(c4ncn3n2)c5ccccc5
Chemical ID:
7216819
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCc2nc3c4cnn(c4ncn3n2)c5ccccc5
InChi [?]:
InChI=1/C21H17ClN6O/c1-13-8-16(9-14(2)19(13)22)29-11-18-25-21-17-10-24-28(15-6-4-3-5-7-15)20(17)23-12-27(21)26-18/h3-10,12H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,27,26,28,25,29,3,5,16,11,21,2,6,24,4,15,12,7,19,14,8,20,17,13,23,22,18,10/E:(1,2)(4,5)(6,7)(8,9)(13,14)/rA:29nCCCCCCCClCOCCNCCCNNCNCNNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s12;d13;s14;s15;d16;s17;d15s18;s19;d20;s14s21;d12s22;s18;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17ClN6O
All Atoms:46
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.9298
Area:621.372
Solvation:-3.60451
Coulombic:-31.3865
Bond Count [?]
All:33
Single:22
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:404.852
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.22
LogP (Chemaxon):5.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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