Chemical ID: 7512409

CCC1CCCCN1Cc2ccc(o2)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
7512409
Name [?]:
2-ethyl-1-[[5-(4-nitrophenyl)-2-furyl]methyl]piperidine
SMILES [?]:
CCC1CCCCN1Cc2ccc(o2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H22N2O3/c1-2-15-5-3-4-12-19(15)13-17-10-11-18(23-17)14-6-8-16(9-7-14)20(21)22/h6-11,15H,2-5,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,4,16,20,17,19,11,12,7,9,15,3,18,10,13,8,21,22,23,14/E:(6,7)(8,9)(21,22)/CRV:20.5/rA:23cCCCCCCCNCCCCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s9;d10;s11;d12;s10s13;s13;s15;d16;s17;d18;d15s19;s18;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N2O3
All Atoms:45
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:5.81667
Area:528.017
Solvation:-7.38376
Coulombic:-25.6391
Bond Count [?]
All:25
Single:19
Double:6
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.87
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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