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Chemical ID: 6668983
Chemical ID:
6668983
Name [?]:
(4-cyanophenyl) (2-chlorophenyl)aminoformate
SMILES [?]:
c1ccc(c(c1)NC(=O)Oc2ccc(cc2)C#N)Cl
InChi [?]:
InChI=1/C14H9ClN2O2/c15-12-3-1-2-4-13(12)17-14(18)19-11-7-5-10(9-16)6-8-11/h1-8H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,13,15,12,16,17,14,11,4,5,8,19,18,7,9,10/E:(5,6)(7,8)/rA:19nCCCCCCNCOOCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;t17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9ClN2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91968 |
Area: | 468.998 |
Solvation: | -1.80527 |
Coulombic: | -38.6098 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 272.686 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.36 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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