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Chemical ID: 4121600
Chemical ID:
4121600
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Cc3ccccc3NC2
InChi [?]:
InChI=1/C14H13N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-8,15H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,10,11,6,9,3,12,7,15,5,8,4,13,14/rA:15nCCCCCCCCCCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s13;s4s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13N |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.76782 |
Area: | 355.712 |
Solvation: | -1.12497 |
Coulombic: | -14.1832 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 195.26 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.43 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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