Chemical ID: 5170811

c1ccc2c(c1)c3c(n2C(=O)c4ccccc4Cl)CCCC3
Chemical ID:
5170811
Name [?]:
(2-chlorophenyl)-(1,2,3,4-tetrahydrocarbazol-9-yl)methanone
SMILES [?]:
c1ccc2c(c1)c3c(n2C(=O)c4ccccc4Cl)CCCC3
InChi [?]:
InChI=1/C19H16ClNO/c20-16-10-4-1-9-15(16)19(22)21-17-11-5-2-7-13(17)14-8-3-6-12-18(14)21/h1-2,4-5,7,9-11H,3,6,8,12H2
InChi Info:
AuxInfo=1/0/N:14,1,21,15,2,20,6,22,13,16,3,19,5,7,12,17,4,8,10,18,9,11/rA:22nCCCCCCCCNCOCCCCCCClCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s8;s19;s20;s7s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16ClNO
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0657
Area:480.178
Solvation:-1.93875
Coulombic:-19.0507
Bond Count [?]
All:25
Single:17
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:309.789
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.64
LogP (Chemaxon):5.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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