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Chemical ID: 6659911
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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