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Chemical ID: 7663820
Chemical ID:
7663820
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N(CCC#N)C(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H13ClN2O/c17-14-9-7-13(8-10-14)16(20)19(12-4-11-18)15-5-2-1-3-6-15/h1-3,5-10H,4,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,9,3,5,15,19,16,18,10,8,14,17,4,12,20,11,7,13/E:(2,3)(5,6)(7,8)(9,10)/rA:20nCCCCCCNCCCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;t10;s7;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClN2O |
All Atoms: | 33 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.49121 |
Area: | 480.039 |
Solvation: | -2.50977 |
Coulombic: | -21.434 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.41 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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