Chemical ID: 7218723

CCC1CCc2c(sc3c2c4nc(nn4cn3)c5ccc(cc5)[N+](=O)[O-])C1
Chemical ID:
7218723
Name [?]:
None
SMILES [?]:
CCC1CCc2c(sc3c2c4nc(nn4cn3)c5ccc(cc5)[N+](=O)[O-])C1
InChi [?]:
InChI=1/C19H17N5O2S/c1-2-11-3-8-14-15(9-11)27-19-16(14)18-21-17(22-23(18)10-20-19)12-4-6-13(7-5-12)24(25)26/h4-7,10-11H,2-3,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,19,23,20,22,5,27,16,3,18,21,6,7,10,13,11,9,17,12,14,15,24,25,26,8/E:(4,5)(6,7)(25,26)/CRV:24.5/rA:27cCCCCCCCSCCCNCNNCNCCCCCCN+OO-C/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;d13;s11s14;s15;s9d16;s13;s18;d19;s20;d21;d18s22;s21;d24;s24;s3s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17N5O2S
All Atoms:44
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:7.42183
Area:572.954
Solvation:-6.90203
Coulombic:-30.9645
Bond Count [?]
All:31
Single:22
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:379.437
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.8
LogP (Chemaxon):5.13

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Descriptor Annotations

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