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Chemical ID: 4259765
Chemical ID:
4259765
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C=Cc3ccccc3N2
InChi [?]:
InChI=1/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H
InChi Info:
AuxInfo=1/0/N:1,11,2,12,6,10,3,13,7,8,5,9,4,14,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:15nCCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s4s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11N |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.66582 |
Area: | 353.996 |
Solvation: | -1.18408 |
Coulombic: | -13.8667 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 193.244 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.8 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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