Chemical ID: 7117394

c1cc(ccc1C=CC(=O)O)Oc2ccc(cc2)Cl
Chemical ID:
7117394
Name [?]:
3-[4-(4-chlorophenoxy)phenyl]prop-2-enoic acid
SMILES [?]:
c1cc(ccc1C=CC(=O)O)Oc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H11ClO3/c16-12-4-8-14(9-5-12)19-13-6-1-11(2-7-13)3-10-15(17)18/h1-10H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,7,15,17,2,4,14,18,8,6,16,3,13,9,19,10,11,12/E:(1,2)(4,5)(6,7)(8,9)(17,18)/rA:19nCCCCCCCCCOOOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s3;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11ClO3
All Atoms:30
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.1467
Area:473.37
Solvation:-2.68754
Coulombic:-36.8581
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:274.699
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.01
LogP (Chemaxon):4.1

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