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Chemical ID: 4777688
Chemical ID:
4777688
Name [?]:
2-(4-chlorophenyl)amino-2-phenyl-acetonitrile
SMILES [?]:
c1ccc(cc1)C(C#N)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H11ClN2/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9,14,17H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,15,12,16,8,4,14,11,7,17,9,10/E:(2,3)(4,5)(6,7)(8,9)/rA:17cCCCCCCCCNNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;t8;s7;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClN2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.26603 |
Area: | 442.248 |
Solvation: | -1.79017 |
Coulombic: | -18.4236 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 242.703 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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