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Chemical ID: 6671427
Chemical ID:
6671427
Name [?]:
5-benzhydrylamino-5-oxo-pentanoic acid
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)NC(=O)CCCC(=O)O
InChi [?]:
InChI=1/C18H19NO3/c20-16(12-7-13-17(21)22)19-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,18H,7,12-13H2,(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,18,3,5,9,13,17,19,4,8,15,20,7,14,16,21,22/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)(21,22)/rA:22nCCCCCCCCCCCCCNCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s15;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.23494 |
Area: | 526.901 |
Solvation: | -3.93758 |
Coulombic: | -48.4008 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.348 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.72 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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