Chemical ID: 4389696

COc1ccc(cc1C(=O)Nc2ccc3c(c2)CCC3)Cl
Chemical ID:
4389696
Name [?]:
5-chloro-N-indan-5-yl-2-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1C(=O)Nc2ccc3c(c2)CCC3)Cl
InChi [?]:
InChI=1/C17H16ClNO2/c1-21-16-8-6-13(18)10-15(16)17(20)19-14-7-5-11-3-2-4-12(11)9-14/h5-10H,2-4H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,14,5,13,4,17,7,15,16,6,12,8,3,9,21,11,10,2/rA:21nCOCCCCCCCONCCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.43719
Area:492.963
Solvation:-3.88688
Coulombic:-28.2896
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.767
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.42
LogP (Chemaxon):4.19

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