Chemical ID: 6659911

c1ccc(cc1)CC(c2ccccc2)[NH3+]
Chemical ID:
6659911
Name [?]:
1,2-diphenylethylammonium
SMILES [?]:
c1ccc(cc1)CC(c2ccccc2)[NH3+]
InChi [?]:
InChI=1/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2/p+1
InChi Info:
AuxInfo=1/1/N:1,12,2,6,11,13,3,5,10,14,7,4,9,8,15/E:(3,4)(5,6)(7,8)(9,10)/rA:15cCCCCCCCCCCCCCCN+/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:-27.3619
Area:388.596
Solvation:-37.0768
Coulombic:38.0603
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:198.284
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.11
LogP (Chemaxon):3.26

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Descriptor Annotations

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