Chemical ID: 4185055

c1cc2n(c(=O)c1)CC3CC2CN(C3)Cc4ccc(cc4)[N+](=O)[O-]
Chemical ID:
4185055
Name [?]:
None
SMILES [?]:
c1cc2n(c(=O)c1)CC3CC2CN(C3)Cc4ccc(cc4)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H19N3O3/c22-18-3-1-2-17-15-8-14(11-20(17)18)10-19(12-15)9-13-4-6-16(7-5-13)21(23)24/h1-7,14-15H,8-12H2
InChi Info:
AuxInfo=1/0/N:1,2,7,17,21,18,20,10,15,14,8,12,16,9,11,19,3,5,13,4,22,6,23,24/E:(4,5)(6,7)(23,24)/CRV:21.5/rA:24cCCCNCOCCCCCCNCCCCCCCCN+OO-/rB:s1;d2;s3;s4;d5;d1s5;s4;s8;s9;s3s10;s11;s12;s9s13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:3
ZAP Information [?]
Total:4.45533
Area:491.351
Solvation:-7.82844
Coulombic:-32.9946
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:325.362
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.47
LogP (Chemaxon):2.2

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Descriptor Annotations

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