Chemical ID: 7215284

CCOC(=O)c1c(c2c3nc(nn3cnc2s1)Cn4cc(c(n4)C)[N+](=O)[O-])C
Chemical ID:
7215284
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(c2c3nc(nn3cnc2s1)Cn4cc(c(n4)C)[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H15N7O4S/c1-4-27-16(24)13-8(2)12-14-18-11(20-22(14)7-17-15(12)28-13)6-21-5-10(23(25)26)9(3)19-21/h5,7H,4,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,24,2,20,18,14,7,22,21,11,8,6,9,16,4,15,10,23,12,19,13,25,5,26,27,3,17/E:(25,26)/CRV:23.5/rA:28nCCOCOCCCCNCNNCNCSCNCCCNCN+OO-C/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s9s12;s13;d14;d8s15;s6s16;s11;s18;s19;d20;s21;s19d22;s22;s21;d25;s25;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N7O4S
All Atoms:43
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.0699
Area:612.592
Solvation:-8.2449
Coulombic:-53.312
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:401.401
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.25
LogP (Chemaxon):2.77

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Descriptor Annotations

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