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Chemical ID: 4255922
Chemical ID:
4255922
Name [?]:
2-[(4-chlorophenyl)carbamoyl]benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)C(=O)O
InChi [?]:
InChI=1/C14H10ClNO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,14,11,15,13,10,5,4,7,17,16,9,8,18,19/E:(5,6)(7,8)(18,19)/rA:19nCCCCCCCONCCCCCCClCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s4;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10ClNO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.17824 |
Area: | 449.907 |
Solvation: | -3.06943 |
Coulombic: | -49.3662 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.687 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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