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Chemical ID: 5070148
Chemical ID:
5070148
Name [?]:
1-(9-anthryl)ethanamine
SMILES [?]:
CC(c1c2ccccc2cc3c1cccc3)N
InChi [?]:
InChI=1/C16H15N/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-11H,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,15,6,14,8,16,5,13,10,2,9,11,4,12,3,17/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15)/rA:17cCCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;d3s11;s12;d13;s14;s11d15;s2;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.47614 |
Area: | 385.293 |
Solvation: | -1.1562 |
Coulombic: | -15.7459 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 221.297 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 4.2 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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