Chemical ID: 7221705

CCC(c1nc2c3ccccc3ncn2n1)n4c(cc(n4)[N+](=O)[O-])C
Chemical ID:
7221705
Name [?]:
None
SMILES [?]:
CCC(c1nc2c3ccccc3ncn2n1)n4c(cc(n4)[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H15N7O2/c1-3-13(22-10(2)8-14(19-22)23(24)25)15-18-16-11-6-4-5-7-12(11)17-9-21(16)20-15/h4-9,13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,9,10,8,11,19,14,18,7,12,3,20,4,6,13,5,21,16,15,17,22,23,24/E:(24,25)/CRV:23.5/rA:25cCCCCNCCCCCCCNCNNNCCCNN+OO-C/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;s12;d13;s6s14;d4s15;s3;s17;d18;s19;s17d20;s20;d22;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N7O2
All Atoms:40
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:5.13038
Area:539.482
Solvation:-8.35667
Coulombic:-37.403
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:337.336
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.79
LogP (Chemaxon):4.14

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Descriptor Annotations

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