Chemical ID: 7104697

CC(c1ccccc1)NCc2cccc(c2)[N+](=O)[O-]
Chemical ID:
7104697
Name [?]:
N-[(3-nitrophenyl)methyl]-1-phenyl-ethanamine
SMILES [?]:
CC(c1ccccc1)NCc2cccc(c2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H16N2O2/c1-12(14-7-3-2-4-8-14)16-11-13-6-5-9-15(10-13)17(18)19/h2-10,12,16H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,13,12,4,8,14,16,10,2,11,3,15,9,17,18,19/E:(3,4)(7,8)(18,19)/CRV:17.5/rA:19cCCCCCCCCNCCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O2
All Atoms:35
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:4.89399
Area:470.216
Solvation:-6.86141
Coulombic:-23.4133
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:256.3
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.54
LogP (Chemaxon):3.72

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Descriptor Annotations

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