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Chemical ID: 7520636
Chemical ID:
7520636
Name [?]:
3-chloro-4-methoxy-N-phenyl-benzamide
SMILES [?]:
COc1ccc(cc1Cl)C(=O)Nc2ccccc2
InChi [?]:
InChI=1/C14H12ClNO2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,5,4,7,6,13,8,3,10,9,12,11,2/E:(3,4)(5,6)/rA:18nCOCCCCCCClCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12ClNO2 |
All Atoms: | 30 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.93723 |
Area: | 446.682 |
Solvation: | -3.22982 |
Coulombic: | -30.0207 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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