Chemical ID: 5237328

c1c(cc2c3c1CCCN3C(=O)CC2)[N+](=O)[O-]
Chemical ID:
5237328
Name [?]:
None
SMILES [?]:
c1c(cc2c3c1CCCN3C(=O)CC2)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H12N2O3/c15-11-4-3-9-7-10(14(16)17)6-8-2-1-5-13(11)12(8)9/h6-7H,1-5H2
InChi Info:
AuxInfo=1/0/N:8,7,14,13,9,1,3,6,4,2,11,5,10,15,12,16,17/E:(16,17)/CRV:14.5/rA:17nCCCCCCCCCNCOCCN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s5s9;s10;d11;s11;s4s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:2.36623
Area:382.39
Solvation:-7.19351
Coulombic:-25.7703
Bond Count [?]
All:19
Single:14
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:232.235
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.07
LogP (Chemaxon):1.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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