Chemical ID: 6731522

CC1CCCC(C1C)NC(=O)c2ccccc2C(=O)[O-]
Chemical ID:
6731522
Name [?]:
2-[(2,3-dimethylcyclohexyl)carbamoyl]benzoate
SMILES [?]:
CC1CCCC(C1C)NC(=O)c2ccccc2C(=O)[O-]
InChi [?]:
InChI=1/C16H21NO3/c1-10-6-5-9-14(11(10)2)17-15(18)12-7-3-4-8-13(12)16(19)20/h3-4,7-8,10-11,14H,5-6,9H2,1-2H3,(H,17,18)(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,8,14,15,4,3,13,16,5,2,7,12,17,6,10,18,9,11,19,20/E:(19,20)/rA:20cCCCCCCCCNCOCCCCCCCOO-/rB:s1;s2;s3;s4;s5;s2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20NO3-
All Atoms:40
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:-33.2329
Area:459.633
Solvation:-44.7237
Coulombic:-19.9812
Bond Count [?]
All:21
Single:16
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.335
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.19
LogP (Chemaxon):2.78

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Descriptor Annotations

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