Chemical ID: 7722234

CCN=C1N(C(=O)C(=Cc2ccccc2[N+](=O)[O-])S1)CC
Chemical ID:
7722234
Name [?]:
None
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccccc2[N+](=O)[O-])S1)CC
InChi [?]:
InChI=1/C14H15N3O3S/c1-3-15-14-16(4-2)13(18)12(21-14)9-10-7-5-6-8-11(10)17(19)20/h5-9H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,20,12,13,11,14,9,10,15,8,6,4,3,5,16,7,17,18,19/E:(19,20)/CRV:17.5/rA:21nCCNCNCOCCCCCCCCN+OO-SCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s4s8;s5;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15N3O3S
All Atoms:36
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:5.32521
Area:493.783
Solvation:-7.01937
Coulombic:-37.0568
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.4
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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