Chemical ID: 7725141

CCC(C(=O)O)Sc1ccc2nnc(n2n1)c3cccnc3
Chemical ID:
7725141
Name [?]:
None
SMILES [?]:
CCC(C(=O)O)Sc1ccc2nnc(n2n1)c3cccnc3
InChi [?]:
InChI=1/C14H13N5O2S/c1-2-10(14(20)21)22-12-6-5-11-16-17-13(19(11)18-12)9-4-3-7-15-8-9/h3-8,10H,2H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,10,9,20,22,17,3,11,8,14,4,21,12,13,16,15,5,6,7/E:(20,21)/rA:22cCCCCOOSCCCCNNCNNCCCCNC/rB:s1;s2;s3;d4;s4;s3;s7;s8;d9;s10;d11;s12;d13;s11s14;d8s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N5O2S
All Atoms:35
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:8.87517
Area:474.006
Solvation:-2.97499
Coulombic:-42.7922
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.37
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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