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Chemical ID: 5174348
Chemical ID:
5174348
Name [?]:
None
SMILES [?]:
Cc1c2ccc3ccccc3c2cc4c1c(ccc4)C#N
InChi [?]:
InChI=1/C20H13N/c1-13-17-10-9-14-5-2-3-8-18(14)19(17)11-15-6-4-7-16(12-21)20(13)15/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,18,7,19,17,10,5,4,13,20,2,6,14,16,3,11,12,15,21/rA:21nCCCCCCCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s12;d13;d2s14;s15;d16;s17;s14d18;s16;t20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13N |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60249 |
Area: | 438.344 |
Solvation: | -1.35611 |
Coulombic: | -7.35004 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 267.324 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.98 |
LogP (Chemaxon): | 5.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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