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Chemical ID: 7512409
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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