Chemical ID: 6741068

c1cc(cc(c1)Cl)NC(=O)CC2(CCCC2)CC(=O)[O-]
Chemical ID:
6741068
Name [?]:
2-[1-[(3-chlorophenyl)carbamoylmethyl]cyclopentyl]acetate
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)CC2(CCCC2)CC(=O)[O-]
InChi [?]:
InChI=1/C15H18ClNO3/c16-11-4-3-5-12(8-11)17-13(18)9-15(10-14(19)20)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10H2,(H,17,18)(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:14,15,1,6,2,13,16,4,11,17,5,3,9,18,12,7,8,10,19,20/E:(1,2)(6,7)(19,20)/rA:20nCCCCCCClNCOCCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s12s15;s12;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17ClNO3-
All Atoms:37
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-31.5387
Area:477.523
Solvation:-43.4767
Coulombic:-20.309
Bond Count [?]
All:21
Single:16
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.753
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.06
LogP (Chemaxon):3.13

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