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Chemical ID: 4518983
Chemical ID:
4518983
Name [?]:
2-(benzhydrylcarbamoyl)benzoic acid
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccccc3C(=O)O
InChi [?]:
InChI=1/C21H17NO3/c23-20(17-13-7-8-14-18(17)21(24)25)22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,19,20,3,5,9,13,18,21,4,8,17,22,7,15,23,14,16,24,25/E:(1,2)(3,4,5,6)(9,10,11,12)(15,16)(24,25)/rA:25nCCCCCCCCCCCCCNCOCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55156 |
Area: | 527.624 |
Solvation: | -3.63903 |
Coulombic: | -52.3639 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.365 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.33 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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