Chemical ID: 7221675

CCC(c1nc2c3ccccc3ncn2n1)n4cc(cn4)[N+](=O)[O-]
Chemical ID:
7221675
Name [?]:
None
SMILES [?]:
CCC(c1nc2c3ccccc3ncn2n1)n4cc(cn4)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13N7O2/c1-2-13(20-8-10(7-17-20)22(23)24)14-18-15-11-5-3-4-6-12(11)16-9-21(15)19-14/h3-9,13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,10,8,11,20,18,14,19,7,12,3,4,6,13,21,5,16,17,15,22,23,24/E:(23,24)/CRV:22.5/rA:24cCCCCNCCCCCCCNCNNNCCCNN+OO-/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;s12;d13;s6s14;d4s15;s3;s17;d18;s19;s17d20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N7O2
All Atoms:37
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:5.88996
Area:515.77
Solvation:-7.00428
Coulombic:-35.8471
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.31
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.55
LogP (Chemaxon):3.42

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Descriptor Annotations

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