Chemical ID: 7685642

Cc1c2c(n[nH]1)Oc3c(c4nc(nn4cn3)c5c(c(nn5C)C(F)(F)F)Cl)C2c6cnn(c6)C
Chemical ID:
7685642
Name [?]:
None
SMILES [?]:
Cc1c2c(n[nH]1)Oc3c(c4nc(nn4cn3)c5c(c(nn5C)C(F)(F)F)Cl)C2c6cnn(c6)C
InChi [?]:
InChI=1/C19H14ClF3N10O/c1-7-9-10(8-4-25-31(2)5-8)11-16-26-15(13-12(20)14(19(21,22)23)29-32(13)3)30-33(16)6-24-17(11)34-18(9)28-27-7/h4-6,10H,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,34,22,30,33,15,2,29,3,28,9,18,17,19,12,10,8,4,23,27,24,25,26,16,31,11,6,5,20,13,32,21,14,7/E:(21,22,23)/rA:34cCCCCNNOCCCNCNNCNCCCNNCCFFFClCCCNNCC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;s11;d12;s10s13;s14;s8d15;s12;d17;s18;d19;s17s20;s21;s19;s23;s23;s23;s18;s3s9;s28;s29;d30;s31;d29s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14ClF3N10O
All Atoms:48
Heavy Atoms:34
Chiral Atoms:None
ZAP Information [?]
Total:9.16462
Area:582.008
Solvation:-5.38557
Coulombic:-60.5206
Bond Count [?]
All:39
Single:29
Double:10
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.56
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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