Chemical ID: 7663820

c1ccc(cc1)N(CCC#N)C(=O)c2ccc(cc2)Cl
Chemical ID:
7663820
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N(CCC#N)C(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H13ClN2O/c17-14-9-7-13(8-10-14)16(20)19(12-4-11-18)15-5-2-1-3-6-15/h1-3,5-10H,4,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,9,3,5,15,19,16,18,10,8,14,17,4,12,20,11,7,13/E:(2,3)(5,6)(7,8)(9,10)/rA:20nCCCCCCNCCCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;t10;s7;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClN2O
All Atoms:33
Heavy Atoms:20
Chiral Atoms:None
ZAP Information [?]
Total:9.49121
Area:480.039
Solvation:-2.50977
Coulombic:-21.434
Bond Count [?]
All:21
Single:13
Double:7
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.41
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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