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Chemical ID: 7491547
Chemical ID:
7491547
Name [?]:
4-allyloxy-N-(2-chlorophenyl)-benzamide
SMILES [?]:
C=CCOc1ccc(cc1)C(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C16H14ClNO2/c1-2-11-20-13-9-7-12(8-10-13)16(19)18-15-6-4-3-5-14(15)17/h2-10H,1,11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,15,7,9,6,10,3,8,5,19,14,11,20,13,12,4/E:(7,8)(9,10)/rA:20nCCCOCCCCCCCONCCCCCCCl/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO2 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58242 |
Area: | 493.212 |
Solvation: | -2.74787 |
Coulombic: | -32.7387 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.741 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.14 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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