Chemical ID: 4518983

c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccccc3C(=O)O
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

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