Chemical ID: 4185075

c1cc(cc(c1)[N+](=O)[O-])CN2CC3CC(C2)c4cccc(=O)n4C3
Chemical ID:
4185075
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])CN2CC3CC(C2)c4cccc(=O)n4C3
InChi [?]:
InChI=1/C18H19N3O3/c22-18-6-2-5-17-15-7-14(11-20(17)18)10-19(12-15)9-13-3-1-4-16(8-13)21(23)24/h1-6,8,14-15H,7,9-12H2
InChi Info:
AuxInfo=1/0/N:1,19,2,6,18,20,14,4,10,12,24,16,3,13,15,5,17,21,11,23,7,22,8,9/E:(23,24)/CRV:21.5/rA:24cCCCCCCN+OO-CNCCCCCCCCCCONC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;s10;s11;s12;s13;s14;s11s15;s15;d17;s18;d19;s20;d21;s17s21;s13s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:3
ZAP Information [?]
Total:4.45736
Area:492.798
Solvation:-7.86259
Coulombic:-32.9596
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

Name Annotations

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Descriptor Annotations

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