Chemical ID: 6321772

c1cc(cc(c1)[N+](=O)[O-])CN2CCN(CC2)CC3CC4CC3C=C4
Chemical ID:
6321772
Name [?]:
1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-[(3-nitrophenyl)methyl]piperazine
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])CN2CCN(CC2)CC3CC4CC3C=C4
InChi [?]:
InChI=1/C19H25N3O2/c23-22(24)19-3-1-2-16(12-19)13-20-6-8-21(9-7-20)14-18-11-15-4-5-17(18)10-15/h1-5,12,15,17-18H,6-11,13-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,24,23,12,16,13,15,21,19,4,10,17,20,3,22,18,5,11,14,7,8,9/E:(6,7)(8,9)(23,24)/CRV:22.5/rA:24cCCCCCCN+OO-CNCCNCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s20;s18s21;s22;s20d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:3
ZAP Information [?]
Total:6.80226
Area:543.881
Solvation:-6.79477
Coulombic:-24.1494
Bond Count [?]
All:27
Single:22
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:327.421
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.21
LogP (Chemaxon):3.09

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Descriptor Annotations

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