Chemical ID: 7222990

CCc1c(sc2c1c3nc(nn3cn2)Cn4c(cc(n4)[N+](=O)[O-])C)C
Chemical ID:
7222990
Name [?]:
None
SMILES [?]:
CCc1c(sc2c1c3nc(nn3cn2)Cn4c(cc(n4)[N+](=O)[O-])C)C
InChi [?]:
InChI=1/C15H15N7O2S/c1-4-10-9(3)25-15-13(10)14-17-11(18-21(14)7-16-15)6-20-8(2)5-12(19-20)22(23)24/h5,7H,4,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,25,2,18,15,13,17,4,3,10,19,7,8,6,14,9,11,20,16,12,21,22,23,5/E:(23,24)/CRV:22.5/rA:25nCCCCSCCCNCNNCNCNCCCNN+OO-CC/rB:s1;s2;d3;s4;s5;s3d6;s7;d8;s9;d10;s8s11;s12;s6d13;s10;s15;s16;d17;s18;s16d19;s19;d21;s21;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N7O2S
All Atoms:40
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.26855
Area:542.553
Solvation:-8.29528
Coulombic:-36.2491
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:357.392
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.71
LogP (Chemaxon):4.06

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Descriptor Annotations

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