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Chemical ID: 6731524
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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Experimental Annotations
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Descriptor Annotations
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