Chemical ID: 4085921

c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC(N2)C(=O)O
Chemical ID:
4085921
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC(N2)C(=O)O
InChi [?]:
InChI=1/C18H16N2O2/c21-18(22)15-10-13-12-8-4-5-9-14(12)19-17(13)16(20-15)11-6-2-1-3-7-11/h1-9,15-16,19-20H,10H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,5,11,14,17,4,10,9,15,18,7,8,20,16,19,21,22/E:(2,3)(6,7)(21,22)/rA:22cCCCCCCCCCCCCCCCNCCNCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s9;s17;s7s18;s18;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:9.40032
Area:474.027
Solvation:-2.45037
Coulombic:-49.314
Bond Count [?]
All:25
Single:17
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:292.332
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.52
LogP (Chemaxon):1.22

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Descriptor Annotations

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