Chemical ID: 6731524

CC1CCC(CC1)NC(=O)c2ccccc2C(=O)[O-]
Chemical ID:
6731524
Name [?]:
2-[(4-methylcyclohexyl)carbamoyl]benzoate
SMILES [?]:
CC1CCC(CC1)NC(=O)c2ccccc2C(=O)[O-]
InChi [?]:
InChI=1/C15H19NO3/c1-10-6-8-11(9-7-10)16-14(17)12-4-2-3-5-13(12)15(18)19/h2-5,10-11H,6-9H2,1H3,(H,16,17)(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,13,14,12,15,3,7,4,6,2,5,11,16,9,17,8,10,18,19/E:(6,7)(8,9)(18,19)/rA:19nCCCCCCCNCOCCCCCCCOO-/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18NO3-
All Atoms:37
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-33.6894
Area:446.793
Solvation:-44.8592
Coulombic:-19.6567
Bond Count [?]
All:20
Single:15
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:260.308
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.9
LogP (Chemaxon):2.38

Name Annotations

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Descriptor Annotations

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