Chemical ID: 7215060

CCOC(=O)c1c(c2c3nc(nn3cnc2s1)c4c(c(nn4C)C)[N+](=O)[O-])C
Chemical ID:
7215060
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(c2c3nc(nn3cnc2s1)c4c(c(nn4C)C)[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H15N7O4S/c1-5-27-16(24)12-7(2)9-14-18-13(20-22(14)6-17-15(9)28-12)11-10(23(25)26)8(3)19-21(11)4/h6H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,24,23,2,14,7,20,8,19,18,6,11,9,16,4,15,10,21,12,22,13,25,5,26,27,3,17/E:(25,26)/CRV:23.5/rA:28nCCOCOCCCCNCNNCNCSCCCNNCCN+OO-C/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s9s12;s13;d14;d8s15;s6s16;s11;d18;s19;d20;s18s21;s22;s20;s19;d25;s25;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N7O4S
All Atoms:43
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.974
Area:591.31
Solvation:-7.80876
Coulombic:-54.035
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:401.401
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.49
LogP (Chemaxon):1.89

Name Annotations

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Descriptor Annotations

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