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Chemical ID: 5219605
Chemical ID:
5219605
Name [?]:
None
SMILES [?]:
Cc1ccc(c2c1c3c([nH]2)-c4ccccc4CC3)C
InChi [?]:
InChI=1/C18H17N/c1-11-7-8-12(2)17-16(11)15-10-9-13-5-3-4-6-14(13)18(15)19-17/h3-8,19H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,14,13,15,12,3,4,17,18,2,5,16,11,8,7,6,9,10/rA:19nCCCCCCCCCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;s9;s11;d12;s13;d14;d11s15;s16;s8s17;s5;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.24071 |
Area: | 418.103 |
Solvation: | -1.21186 |
Coulombic: | -13.4086 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 247.334 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.82 |
LogP (Chemaxon): | 5.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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