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Chemical ID: 3963944
Chemical ID:
3963944
Name [?]:
None
SMILES [?]:
CC12c3ccccc3CC(N1)c4c2cccc4
InChi [?]:
InChI=1/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,16,5,15,7,17,4,14,9,8,12,3,13,10,2,11/rA:17cCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;s10;s2s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.0749 |
Area: | 374.414 |
Solvation: | -1.28545 |
Coulombic: | -11.7785 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 221.297 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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