Chemical ID: 6671427

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

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Descriptor Annotations

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