Chemical ID: 5070148

CC(c1c2ccccc2cc3c1cccc3)N
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue